Disodium 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulfonatophenoxy)anthracene-2-sulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H10O11S2.2Na
Molecular Weight	536.396
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Disodium 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulfonatophenoxy)anthracene-2-sulfonate

Structure Search

SMILES

[Na+].[Na+].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=JBQQJBHUQSTJND-UHFFFAOYSA-L

InChI=1S/C20H12O11S2.2Na/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);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula	C20H10O11S2
Molecular Weight	490.417
Charge	-2
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
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 `Sat Dec 16 11:47:20 GMT 2023` Edited by `admin` on `Sat Dec 16 11:47:20 GMT 2023`
Record UNII	2LCJ8X29DB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Disodium 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulfonatophenoxy)anthracene-2-sulfonate

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

94094-64-1