DIRECT BLUE 81 FREE ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C46H31N7O14S4
Molecular Weight	1034.037
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=C2C(=CC(=C1)S(O)(=O)=O)C=C(C=C2\N=N\C3=CC=C(\N=N\C4=CC=C(\N=N\C5=C(O)C6=CC=C(NC7=CC=CC=C7)C=C6C=C5S(O)(=O)=O)C8=CC(=CC=C48)S(O)(=O)=O)C9=CC=CC=C39)S(O)(=O)=O

InChI

InChIKey=FEPFZIRBHFDQOT-HRXBLMMKSA-N

InChI=1S/C46H31N7O14S4/c54-42-24-31(70(62,63)64)20-26-19-30(69(59,60)61)23-41(44(26)42)52-50-38-15-14-37(33-8-4-5-9-34(33)38)48-49-39-16-17-40(36-22-29(68(56,57)58)11-13-35(36)39)51-53-45-43(71(65,66)67)21-25-18-28(10-12-32(25)46(45)55)47-27-6-2-1-3-7-27/h1-24,47,54-55H,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)/b49-48+,52-50+,53-51+

HIDE SMILES / InChI

Molecular Formula	C46H31N7O14S4
Molecular Weight	1034.037
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	3
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:15:05 GMT 2023` Edited by `admin` on `Sat Dec 16 11:15:05 GMT 2023`
Record UNII	J64Q7V24A1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BLUE 81 FREE ACID

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

4-HYDROXY-5-((4-((4-((1-HYDROXY-6-(PHENYLAMINO)-3-SULPHO-2-NAPHTHYL)AZO)-6-SULPHONAPHTHYL)AZO)NAPHTHYL)AZO)NAPHTHALENE-2,7-DISULPHONIC ACID

Common Name

English

Code System Code Type Description

FDA UNII

J64Q7V24A1

Created by admin on Sat Dec 16 11:15:05 GMT 2023 , Edited by admin on Sat Dec 16 11:15:05 GMT 2023

PRIMARY

ECHA (EC/EINECS)

246-712-7

Created by admin on Sat Dec 16 11:15:05 GMT 2023 , Edited by admin on Sat Dec 16 11:15:05 GMT 2023

PRIMARY

EPA CompTox

DTXSID80103820

Created by admin on Sat Dec 16 11:15:05 GMT 2023 , Edited by admin on Sat Dec 16 11:15:05 GMT 2023

PRIMARY

CAS

25180-11-4

Created by admin on Sat Dec 16 11:15:05 GMT 2023 , Edited by admin on Sat Dec 16 11:15:05 GMT 2023

PRIMARY

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