3-Methylphenyl 4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]benzenesulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H19NO7S
Molecular Weight	501.507
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Methylphenyl 4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]benzenesulfonate

Structure Search

SMILES

CC1=CC=CC(OS(=O)(=O)C2=CC=C(OC3=C(N)C4=C(C(=O)C5=CC=CC=C5C4=O)C(O)=C3)C=C2)=C1

InChI

InChIKey=GDBXXYSGUYHFMZ-UHFFFAOYSA-N

InChI=1S/C27H19NO7S/c1-15-5-4-6-17(13-15)35-36(32,33)18-11-9-16(10-12-18)34-22-14-21(29)23-24(25(22)28)27(31)20-8-3-2-7-19(20)26(23)30/h2-14,29H,28H2,1H3

HIDE SMILES / InChI

Molecular Formula	C27H19NO7S
Molecular Weight	501.507
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 19:24:41 GMT 2025` Edited by `admin` on `Tue Apr 01 19:24:41 GMT 2025`
Record UNII	X8J2U5J4U6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methylphenyl 4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]benzenesulfonate

Systematic Name

English

m-Tolyl p-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)benzenesulfonate

Preferred Name

English

m-Tolyl p-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)benzenesulphonate

Systematic Name

English

Benzenesulfonic acid, 4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-, 3-methylphenyl ester

Systematic Name

English

Code System Code Type Description

CAS

5517-35-1