BENZOPURPURIN B FREE ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H28N6O6S2
Molecular Weight	680.753
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(C=CC(=C1)C2=CC(C)=C(C=C2)\N=N\C3=C(N)C4=C(C=CC=C4)C(=C3)S(O)(=O)=O)\N=N\C5=CC(=C6C=CC=CC6=C5N)S(O)(=O)=O

InChI

InChIKey=PYPYDHUIORYEHW-HVMBLDELSA-N

InChI=1S/C34H28N6O6S2/c1-19-15-21(11-13-27(19)37-39-29-17-31(47(41,42)43)23-7-3-5-9-25(23)33(29)35)22-12-14-28(20(2)16-22)38-40-30-18-32(48(44,45)46)24-8-4-6-10-26(24)34(30)36/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46)/b39-37+,40-38+

HIDE SMILES / InChI

Molecular Formula	C34H28N6O6S2
Molecular Weight	680.753
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:42:50 GMT 2023` Edited by `admin` on `Sat Dec 16 15:42:50 GMT 2023`
Record UNII	G0E6YYC47J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZOPURPURIN B FREE ACID

Common Name

English

RED RSPC

Common Name

English

NAPHTHIONIC ACID, 3,3'-(3,3'-DIMETHYL-4,4'-BIPHENYLYLENEBISAZO)DI-

Common Name

English

1-NAPHTHALENESULFONIC ACID, 3,3'-((3,3'-DIMETHYL(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO))BIS(4-AMINO-

Systematic Name

English

3,3'-((3-METHYLENE(1,1'-BIPHENYL)-4,4'-DIYL)BIS(2,1-DIAZENEDIYL))BIS(4-AMINO-1-NAPHTHALENESULFONIC ACID)

Systematic Name

English

1-NAPHTHALENESULFONIC ACID, 3,3'-((3-METHYLENE(1,1'-BIPHENYL)-4,4'-DIYL)BIS(2,1-DIAZENEDIYL))BIS(4-AMINO-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80859573

Created by admin on Sat Dec 16 15:42:50 GMT 2023 , Edited by admin on Sat Dec 16 15:42:50 GMT 2023

PRIMARY

FDA UNII

G0E6YYC47J

Created by admin on Sat Dec 16 15:42:50 GMT 2023 , Edited by admin on Sat Dec 16 15:42:50 GMT 2023

PRIMARY

CAS

1733-14-8

Created by admin on Sat Dec 16 15:42:50 GMT 2023 , Edited by admin on Sat Dec 16 15:42:50 GMT 2023

PRIMARY

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