9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)-2-anthracenesulfonic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H12O11S2
Molecular Weight	492.433
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)-2-anthracenesulfonic acid

Structure Search

SMILES

OC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(O)C(=C1OC4=CC=C(C=C4)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=YCNHRWJJRCWZQZ-UHFFFAOYSA-N

InChI=1S/C20H12O11S2/c21-15-11-3-1-2-4-12(11)16(22)14-13(15)17(23)19(20(18(14)24)33(28,29)30)31-9-5-7-10(8-6-9)32(25,26)27/h1-8,23-24H,(H,25,26,27)(H,28,29,30)

HIDE SMILES / InChI

Molecular Formula	C20H12O11S2
Molecular Weight	492.433
Charge	0
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 17:48:18 GMT 2025` Edited by `admin` on `Tue Apr 01 17:48:18 GMT 2025`
Record UNII	FJ82C6N6AT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)-2-anthracenesulfonic acid

Systematic Name

English

2-Anthracenesulfonic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID5064386