Compound C21H16N2O8S2

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

CAS: 6247-36-5

Molecular Formula	`C21H16N2O8S2`
Molecular Weight	488.5 g/mol
LogP	2.7
Topological Polar Surface Area	198.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	4
Exact Mass	488.03482
Heavy Atoms	33
Complexity	1000.0

Chemical Identifiers

CAS Number	6247-36-5
SMILES	`CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O`
InChIKey	`ZXJLRDYNAAGYLU-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H16N2O8S2 (CAS: 6247-36-5) is a chemical compound with molecular formula C21H16N2O8S2 and molecular weight 488.5 g/mol. Its IUPAC systematic name is 1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid. LogP 2.7 Topological Polar Surface Area 198.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 10 Rotatable Bonds 4 Exact Mass 488.03482 Heavy Atoms 33 Complexity 1000.0 InChI Key: ZXJLRDYNAAGYLU-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O.

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