EINECS 204-218-9

3-[(2-acetamido-4-aminophenyl)diazenyl]naphthalene-1,5-disulfonic acid

CAS: 117-88-4

Molecular Formula	`C18H16N4O7S2`
Molecular Weight	464.5 g/mol
LogP	0.9
Topological Polar Surface Area	205.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	464.04605
Heavy Atoms	31
Complexity	897.0

Chemical Identifiers

CAS Number	117-88-4
SMILES	`CC(=O)NC1=C(C=CC(=C1)N)N=NC2=CC3=C(C=CC=C3S(=O)(=O)O)C(=C2)S(=O)(=O)O`
InChIKey	`KOXYXBGVZGWXED-UHFFFAOYSA-N`

📖 Product Overview

EINECS 204-218-9 (CAS: 117-88-4) is a chemical compound with molecular formula C18H16N4O7S2 and molecular weight 464.5 g/mol. Its IUPAC systematic name is 3-[(2-acetamido-4-aminophenyl)diazenyl]naphthalene-1,5-disulfonic acid. LogP 0.9 Topological Polar Surface Area 205.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 10 Rotatable Bonds 5 Exact Mass 464.04605 Heavy Atoms 31 Complexity 897.0 InChI Key: KOXYXBGVZGWXED-UHFFFAOYSA-N. SMILES: CC(=O)NC1=C(C=CC(=C1)N)N=NC2=CC3=C(C=CC=C3S(=O)(=O)O)C(=C2)S(=O)(=O)O.

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