Compound C22H18N2O11S3

1-amino-9,10-dioxo-4-[3-(2-sulfooxyethylsulfonyl)anilino]anthracene-2-sulfonic acid

CAS: 6522-88-9

Molecular Formula	`C22H18N2O11S3`
Molecular Weight	582.6 g/mol
LogP	1.7
Topological Polar Surface Area	249.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	13
Rotatable Bonds	8
Exact Mass	582.00726
Heavy Atoms	38
Complexity	1230.0

Chemical Identifiers

CAS Number	6522-88-9
SMILES	`C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N`
InChIKey	`VGPIJNLQDSYRBZ-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H18N2O11S3 (CAS: 6522-88-9) is a chemical compound with molecular formula C22H18N2O11S3 and molecular weight 582.6 g/mol. Its IUPAC systematic name is 1-amino-9,10-dioxo-4-[3-(2-sulfooxyethylsulfonyl)anilino]anthracene-2-sulfonic acid. LogP 1.7 Topological Polar Surface Area 249.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 13 Rotatable Bonds 8 Exact Mass 582.00726 Heavy Atoms 38 Complexity 1230.0 InChI Key: VGPIJNLQDSYRBZ-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N.

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