DIRECT RED 80 FREE ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C45H32N10O21S6
Molecular Weight	1241.18
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=C(\N=N\C2=C(C=C(C=C2)\N=N\C3=CC=C(C=C3)S(O)(=O)=O)S(O)(=O)=O)C(=CC4=CC(NC(=O)NC5=CC=C6C(=C5)C=C(C(\N=N\C7=C(C=C(C=C7)\N=N\C8=CC=C(C=C8)S(O)(=O)=O)S(O)(=O)=O)=C6O)S(O)(=O)=O)=CC=C14)S(O)(=O)=O

InChI

InChIKey=IUNAENBIEJRAKZ-NQJCQUKBSA-N

InChI=1S/C45H32N10O21S6/c56-43-33-13-5-27(17-23(33)19-39(81(71,72)73)41(43)54-52-35-15-7-29(21-37(35)79(65,66)67)50-48-25-1-9-31(10-2-25)77(59,60)61)46-45(58)47-28-6-14-34-24(18-28)20-40(82(74,75)76)42(44(34)57)55-53-36-16-8-30(22-38(36)80(68,69)70)51-49-26-3-11-32(12-4-26)78(62,63)64/h1-22,56-57H,(H2,46,47,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)/b50-48+,51-49+,54-52+,55-53+

HIDE SMILES / InChI

Molecular Formula	C45H32N10O21S6
Molecular Weight	1241.18
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 `Mon Mar 31 22:31:10 GMT 2025` Edited by `admin` on `Mon Mar 31 22:31:10 GMT 2025`
Record UNII	29AND524MI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT RED 80 FREE ACID

Common Name

English

J269.409C

Preferred Name

English

2-NAPHTHALENESULFONIC ACID, 7,7'-(CARBONYLDIIMINO)BIS(4-HYDROXY-3-(2-(2-SULFO-4-(2-(4-SULFOPHENYL)DIAZENYL)PHENYL)DIAZENYL)-

Systematic Name

English

2-NAPHTHALENESULFONIC ACID, 7,7'-(CARBONYLDIIMINO)BIS(4-HYDROXY-3-((2-SULFO-4-((4-SULFOPHENYL)AZO)PHENYL)AZO)-

Systematic Name

English

7,7'-(CARBONYLBISIMINO)BIS(4-HYDROXY-3-(4-(4-SULFOPHENYLAZO)-2-SULFOPHENYLAZO)-2-NAPHTHALENESULFONIC ACID)

Systematic Name

English

Code System Code Type Description

CHEBI

88280