Compound C16H13NO9S3

4-amino-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid

CAS: 83-23-8

Molecular Formula	`C16H13NO9S3`
Molecular Weight	459.5 g/mol
LogP	1.1
Topological Polar Surface Area	203.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	458.97525
Heavy Atoms	29
Complexity	893.0

Chemical Identifiers

CAS Number	83-23-8
SMILES	`C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)O`
InChIKey	`SZDWYKHYOOGWOF-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H13NO9S3 (CAS: 83-23-8) is a chemical compound with molecular formula C16H13NO9S3 and molecular weight 459.5 g/mol. Its IUPAC systematic name is 4-amino-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid. LogP 1.1 Topological Polar Surface Area 203.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 10 Rotatable Bonds 5 Exact Mass 458.97525 Heavy Atoms 29 Complexity 893.0 InChI Key: SZDWYKHYOOGWOF-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)O.

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