5-[[4-[2-[4-[[4-[2-(4-Nitro-2-sulfophenyl)ethenyl]phenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-NNO-azoxy]-2-[2-[4-[[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]benzenesulfonic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C56H40N8O28S7
Molecular Weight	1497.409
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	7
Charge	0

SHOW SMILES / InChI

Structure of 5-[[4-[2-[4-[[4-[2-(4-Nitro-2-sulfophenyl)ethenyl]phenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-NNO-azoxy]-2-[2-[4-[[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]benzenesulfonic acid

Structure Search

SMILES

OS(=O)(=O)C1=CC(=CC=C1\C=C\C2=CC=C(C=C2S(O)(=O)=O)\N=[N+](/[O-])C3=CC=C(\C=C\C4=CC=C(C=C4S(O)(=O)=O)\N=[N+](\[O-])C5=CC=C(\C=C\C6=CC=C(C=C6S(O)(=O)=O)[N+]([O-])=O)C(=C5)S(O)(=O)=O)C(=C3)S(O)(=O)=O)\N=[N+](\[O-])C7=CC=C(\C=C\C8=CC=C(C=C8S(O)(=O)=O)[N+]([O-])=O)C=C7

InChI

InChIKey=JROUDDQTYQOGHL-BKDNHRPESA-N

InChI=1S/C56H40N8O28S7/c65-60(45-21-2-34(3-22-45)1-4-35-16-25-48(63(68)69)32-55(35)98(87,88)89)57-42-18-11-36(50(27-42)93(72,73)74)5-6-37-12-19-43(28-51(37)94(75,76)77)58-61(66)46-23-14-39(53(30-46)96(81,82)83)8-7-38-13-20-44(29-52(38)95(78,79)80)59-62(67)47-24-15-40(54(31-47)97(84,85)86)9-10-41-17-26-49(64(70)71)33-56(41)99(90,91)92/h1-33H,(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)/b4-1+,6-5+,8-7+,10-9+,60-57+,61-58-,62-59+

HIDE SMILES / InChI

Molecular Formula	C56H40N8O28S7
Molecular Weight	1497.409
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	7
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:58:25 GMT 2023` Edited by `admin` on `Sat Dec 16 11:58:25 GMT 2023`
Record UNII	W9GJ4RFL65
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-[[4-[2-[4-[[4-[2-(4-Nitro-2-sulfophenyl)ethenyl]phenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-NNO-azoxy]-2-[2-[4-[[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]benzenesulfonic acid

Systematic Name

English

(E)-1-{4-[(E)-2-{4-[(Z)-2-{4-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl}-2-oxidodiazen-2-ium-1-yl]-2-sulfophenyl}ethenyl]-3-sulfophenyl}-2-{4-[(E)-2-{4-[(Z)-2-{4-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]phenyl}-2-oxidodiazen-2-ium-1-yl]-2-sulfophe

Systematic Name

English

5-[2-[4-[2-[4-[2-[4-[2-(4-Nitro-2-sulfophenyl)ethenyl]phenyl]-2-oxidodiazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-1-oxidodiazenyl]-2-[2-[4-[2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-2-oxidodiazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic a

Systematic Name

English

Benzenesulfonic acid, 5-[[4-[2-[4-[[4-[2-(4-nitro-2-sulfophenyl)ethenyl]phenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-NNO-azoxy]-2-[2-[4-[[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]-

Systematic Name

English

Benzenesulfonic acid, 5-[2-[4-[2-[4-[2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]phenyl]-2-oxidodiazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-1-oxidodiazenyl]-2-[2-[4-[2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-2-oxidodiazenyl]-2-sulfophenyl]eth

Systematic Name

English

Code System Code Type Description

CAS

66214-55-9

Created by admin on Sat Dec 16 11:58:25 GMT 2023 , Edited by admin on Sat Dec 16 11:58:25 GMT 2023

PRIMARY

EPA CompTox

DTXSID5070442

Created by admin on Sat Dec 16 11:58:25 GMT 2023 , Edited by admin on Sat Dec 16 11:58:25 GMT 2023

PRIMARY

ECHA (EC/EINECS)

266-255-7

Created by admin on Sat Dec 16 11:58:25 GMT 2023 , Edited by admin on Sat Dec 16 11:58:25 GMT 2023

PRIMARY

FDA UNII

W9GJ4RFL65

Created by admin on Sat Dec 16 11:58:25 GMT 2023 , Edited by admin on Sat Dec 16 11:58:25 GMT 2023

PRIMARY