DIRECT BLACK 51 3-SALICYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H17N5O7S.2Na
Molecular Weight	601.498
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of DIRECT BLACK 51 3-SALICYLATE

Structure Search

SMILES

[Na+].[Na+].NC1=CC2=C(C=C1)C=C(C(\N=N\C3=CC=C(\N=N\C4=C(O)C(=CC=C4)C([O-])=O)C5=CC=CC=C35)=C2O)S([O-])(=O)=O

InChI

InChIKey=QENJECLVTWIZIG-FBYWTXOISA-L

InChI=1S/C27H19N5O7S.2Na/c28-15-9-8-14-12-23(40(37,38)39)24(26(34)19(14)13-15)32-30-21-11-10-20(16-4-1-2-5-17(16)21)29-31-22-7-3-6-18(25(22)33)27(35)36;;/h1-13,33-34H,28H2,(H,35,36)(H,37,38,39);;/q;2*+1/p-2/b31-29+,32-30+;;

HIDE SMILES / InChI

Molecular Formula	C27H17N5O7S
Molecular Weight	555.518
Charge	-2
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:26:35 GMT 2025` Edited by `admin` on `Tue Apr 01 16:26:35 GMT 2025`
Record UNII	692I98XDPF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BLACK 51 3-SALICYLATE

Common Name

English

DIRECT BLACK 51, 3-SALICYLATE-

Preferred Name

English

3-((4-((7-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHYL)AZO)-1-NAPHTHYL)AZO)SALICYLIC ACID DISODIUM SALT

Systematic Name

English

BENZOIC ACID, 3-(2-(4-(2-(7-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHALENYL)DIAZENYL)-1-NAPHTHALENYL)DIAZENYL)-2-HYDROXY-, SODIUM SALT (1:2)

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

233-719-5