2-Anthracenesulfonic acid, 1-amino-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]amino]-9,10-dihydro-9,10-dioxo-, monosodium salt

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H19N2O8S2.Na
Molecular Weight	586.568
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Anthracenesulfonic acid, 1-amino-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]amino]-9,10-dihydro-9,10-dioxo-, monosodium salt

Structure Search

SMILES

[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(NC3=C4C(=O)C5=C(C=CC=C5)C(=O)C4=C(N)C(=C3)S([O-])(=O)=O)C=C2

InChI

InChIKey=YNYQQXPCRFXFIH-UHFFFAOYSA-M

InChI=1S/C27H20N2O8S2.Na/c1-15-6-12-18(13-7-15)39(35,36)37-17-10-8-16(9-11-17)29-21-14-22(38(32,33)34)25(28)24-23(21)26(30)19-4-2-3-5-20(19)27(24)31;/h2-14,29H,28H2,1H3,(H,32,33,34);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula	C27H19N2O8S2
Molecular Weight	563.578
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 12:08:41 GMT 2023` Edited by `admin` on `Sat Dec 16 12:08:41 GMT 2023`
Record UNII	472EZ5D65J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Anthracenesulfonic acid, 1-amino-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]amino]-9,10-dihydro-9,10-dioxo-, monosodium salt

Common Name

English

2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]amino]-9,10-dioxo-, monosodium salt

Systematic Name

English

2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]amino]-9,10-dioxo-, sodium salt (1:1)

Systematic Name

English

Code System Code Type Description

CAS

67969-88-4