EINECS 204-190-8

4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid

CAS: 117-44-2

Molecular Formula	`C24H21N3O10S3`
Molecular Weight	607.6 g/mol
LogP	3.2
Topological Polar Surface Area	237.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	13
Rotatable Bonds	8
Exact Mass	607.0389
Heavy Atoms	40
Complexity	1220.0

Chemical Identifiers

CAS Number	117-44-2
SMILES	`CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3OS(=O)(=O)C4=CC=CC=C4)S(=O)(=O)O)OC)N`
InChIKey	`QEYCCMMMEKIJFH-UHFFFAOYSA-N`

📖 Product Overview

EINECS 204-190-8 (CAS: 117-44-2) is a chemical compound with molecular formula C24H21N3O10S3 and molecular weight 607.6 g/mol. Its IUPAC systematic name is 4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid. LogP 3.2 Topological Polar Surface Area 237.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 13 Rotatable Bonds 8 Exact Mass 607.0389 Heavy Atoms 40 Complexity 1220.0 InChI Key: QEYCCMMMEKIJFH-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3OS(=O)(=O)C4=CC=CC=C4)S(=O)(=O)O)OC)N.

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