disodium1-amino-4-(4-benzamido-3-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate

disodium;1-amino-4-(4-benzamido-3-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate

CAS: 4913-28-4

Molecular Formula	`C27H17N3Na2O9S2`
Molecular Weight	637.6 g/mol
Topological Polar Surface Area	232.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	4
Exact Mass	637.02014
Heavy Atoms	43
Complexity	1210.0

Chemical Identifiers

CAS Number	4913-28-4
SMILES	`C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]`
InChIKey	`PKXUWWYFRJXWSR-UHFFFAOYSA-L`

📖 Product Overview

disodium1-amino-4-(4-benzamido-3-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate (CAS: 4913-28-4) is a chemical compound with molecular formula C27H17N3Na2O9S2 and molecular weight 637.6 g/mol. Its IUPAC systematic name is disodium;1-amino-4-(4-benzamido-3-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate. Topological Polar Surface Area 232.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 11 Rotatable Bonds 4 Exact Mass 637.02014 Heavy Atoms 43 Complexity 1210.0 InChI Key: PKXUWWYFRJXWSR-UHFFFAOYSA-L. SMILES: C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].

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