NCIStruc1_000066

4-[(3-carboxy-4-oxonaphthalen-1-ylidene)-phenylmethyl]-1-hydroxynaphthalene-2-carboxylic acid

Also Known As: NCIStruc1_000066|NCIStruc1_000070|NCIStruc2_001720|NCIStruc2_001932|C.I. Mordant Green 31 parent|C.I. Mordant Green 31, disodium salt|EINECS 227-212-8|NCI60_002826|NCI60_004806|4-[(3-carboxy-4-oxonaphthalen-1-ylidene)-phenylmethyl]-1-hydroxynaphthalene-2-carboxylic acid|4-((3-carboxy-4-hydroxy-1-naphthyl)(phenyl)methylene)-1-oxo-1,4-dihydro-2-naphthalenecarboxylic acid|2-Naphthalenecarboxylic acid, 4-((3-carboxy-4-hydroxy-1-naphthalenyl)phenylmethylene)-1,4-dihydro-1-oxo-, disodium salt|2-Naphthalenecarboxylic acid, 4-[(3-carboxy-4-hydroxy-1-naphthalenyl)phenylmethylene]-1,4-dihydro-1-oxo-, disodium salt|Disodium 4-((3-carboxylato-4-hydroxy-1-naphthyl)phenylmethylene)-1,4-dihydro-1-oxo-2-naphthoate|Disodium 4-[(3-carboxylato-4-hydroxy-1-naphthyl)phenylmethylene]-1,4-dihydro-1-oxo-2-naphthoate

Molecular Formula	C29H18O6
Molecular Weight	462.11035 g/mol
LogP	5.41
Topological Polar Surface Area	111.9 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	462.11035
Heavy Atoms	35
Complexity	1609.3

Chemical Identifiers

CAS Number	5715-76-4
SMILES	C1=CC=C(C=C1)C(=C2C=C(C(=O)C3=CC=CC=C32)C(=O)O)C4=CC(=C(C5=CC=CC=C54)O)C(=O)O