Compound C17H12N2O12S3

8-[(3-nitrobenzoyl)amino]naphthalene-1,3,5-trisulfonic acid

CAS: 339526-05-5

Molecular Formula	`C17H12N2O12S3`
Molecular Weight	532.5 g/mol
LogP	0.1
Topological Polar Surface Area	263.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	5
Exact Mass	531.95526
Heavy Atoms	34
Complexity	1110.0

Chemical Identifiers

CAS Number	339526-05-5
SMILES	`C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O`
InChIKey	`REIQTUMOJLZAOH-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H12N2O12S3 (CAS: 339526-05-5) is a chemical compound with molecular formula C17H12N2O12S3 and molecular weight 532.5 g/mol. Its IUPAC systematic name is 8-[(3-nitrobenzoyl)amino]naphthalene-1,3,5-trisulfonic acid. LogP 0.1 Topological Polar Surface Area 263.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 12 Rotatable Bonds 5 Exact Mass 531.95526 Heavy Atoms 34 Complexity 1110.0 InChI Key: REIQTUMOJLZAOH-UHFFFAOYSA-N. SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.

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