Compound C20H15N3O8S2

1-amino-4-(4-amino-3-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid

CAS: 81-69-6

Molecular Formula	`C20H15N3O8S2`
Molecular Weight	489.5 g/mol
LogP	2.2
Topological Polar Surface Area	224.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	4
Exact Mass	489.03006
Heavy Atoms	33
Complexity	1010.0

Chemical Identifiers

CAS Number	81-69-6
SMILES	`C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N`
InChIKey	`VZKVROOYNMPMLU-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H15N3O8S2 (CAS: 81-69-6) is a chemical compound with molecular formula C20H15N3O8S2 and molecular weight 489.5 g/mol. Its IUPAC systematic name is 1-amino-4-(4-amino-3-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid. LogP 2.2 Topological Polar Surface Area 224.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 11 Rotatable Bonds 4 Exact Mass 489.03006 Heavy Atoms 33 Complexity 1010.0 InChI Key: VZKVROOYNMPMLU-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N.

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