3-[[4-[(4-Amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenoxy]sulfonyl]benzoic acid disodium salt

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H16N2O10S2.2Na
Molecular Weight	638.533
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-[[4-[(4-Amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenoxy]sulfonyl]benzoic acid disodium salt

Structure Search

SMILES

[Na+].[Na+].NC1=C(C=C(NC2=CC=C(OS(=O)(=O)C3=CC(=CC=C3)C([O-])=O)C=C2)C4=C1C(=O)C5=C(C=CC=C5)C4=O)S([O-])(=O)=O

InChI

InChIKey=ZVQOYLSDWMLQIW-UHFFFAOYSA-L

InChI=1S/C27H18N2O10S2.2Na/c28-24-21(40(34,35)36)13-20(22-23(24)26(31)19-7-2-1-6-18(19)25(22)30)29-15-8-10-16(11-9-15)39-41(37,38)17-5-3-4-14(12-17)27(32)33;;/h1-13,29H,28H2,(H,32,33)(H,34,35,36);;/q;2*+1/p-2

HIDE SMILES / InChI

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

Molecular Formula	C27H16N2O10S2
Molecular Weight	592.553
Charge	-2
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 19:23:41 GMT 2025` Edited by `admin` on `Tue Apr 01 19:23:41 GMT 2025`
Record UNII	756W9R3UAL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-[[4-[(4-Amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenoxy]sulfonyl]benzoic acid disodium salt

Systematic Name

English

Benzoic acid, 3-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenoxy]sulfonyl]-, disodium salt

Preferred Name

English

Code System Code Type Description

PUBCHEM

170452