DIRECT BLACK 75 FREE ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C50H32N8O17S5
Molecular Weight	1177.157
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=C(\N=N\C2=CC=C3C=C(C(\N=N\C4=CC=C(\N=N\C5=CC=C(\N=N\C6=CC7=C(C=CC=C7C(=C6)S(O)(=O)=O)S(O)(=O)=O)C8=CC=CC=C58)C9=CC=C(C=C49)S(O)(=O)=O)=C(O)C3=C2)S(O)(=O)=O)C%10=CC=C(C=C%10C=C1)S(O)(=O)=O

InChI

InChIKey=BCRZHZXFPILYQP-KMKLVWFNSA-N

InChI=1S/C50H32N8O17S5/c59-44-19-9-26-20-30(76(61,62)63)11-13-32(26)48(44)57-51-28-10-8-27-21-47(80(73,74)75)49(50(60)37(27)22-28)58-56-43-18-17-42(35-14-12-31(25-38(35)43)77(64,65)66)55-54-41-16-15-40(33-4-1-2-5-34(33)41)53-52-29-23-39-36(46(24-29)79(70,71)72)6-3-7-45(39)78(67,68)69/h1-25,59-60H,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)/b53-52+,55-54+,57-51+,58-56+

HIDE SMILES / InChI

Molecular Formula	C50H32N8O17S5
Molecular Weight	1177.157
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	4
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:03:34 GMT 2023` Edited by `admin` on `Sat Dec 16 11:03:34 GMT 2023`
Record UNII	ZXN3088THC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BLACK 75 FREE ACID

Common Name

English

C.I. DIRECT BLACK 75 (FREE ACID)

Common Name

English

1,5-NAPHTHALENEDISULFONIC ACID, 3-(2-(4-(2-(4-(2-(1-HYDROXY-7-(2-(2-HYDROXY-6-SULFO-1-NAPHTHALENYL)DIAZENYL)-3-SULFO-2-NAPHTHALENYL)DIAZENYL)-6-SULFO-1-NAPHTHALENYL)DIAZENYL)-1-NAPHTHALENYL)DIAZENYL)-

Systematic Name

English

1,5-NAPHTHALENEDISULFONIC ACID, 3-((4-((4-((1-HYDROXY-7-((2-HYDROXY-6-SULFO-1-NAPHTHALENYL)AZO)-3-SULFO-1-NAPHTHALENYL)AZO)-6-SULFO-1-NAPHTHALENYL)AZO)-1-NAPHTHALENYL)AZO)-

Systematic Name

English

Code System Code Type Description

CAS

25254-99-3

Created by admin on Sat Dec 16 11:03:34 GMT 2023 , Edited by admin on Sat Dec 16 11:03:34 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

EPA CompTox

DTXSID60109841

Created by admin on Sat Dec 16 11:03:34 GMT 2023 , Edited by admin on Sat Dec 16 11:03:34 GMT 2023

PRIMARY

FDA UNII

ZXN3088THC

Created by admin on Sat Dec 16 11:03:34 GMT 2023 , Edited by admin on Sat Dec 16 11:03:34 GMT 2023

PRIMARY

PUBCHEM

112500388

Created by admin on Sat Dec 16 11:03:34 GMT 2023 , Edited by admin on Sat Dec 16 11:03:34 GMT 2023

PRIMARY

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