4-[(4-hexylphenyl)diazenyl]benzoic acid; methanamine

Systemtic Name: 4-[(4-hexylphenyl)diazenyl]benzoic acid; methanamine Openeye Name: 4-(4-hexylphenyl)azobenzoic acid; methanamine CAS Name: 4-(4-hexylphenyl)azobenzoic acid; methanamine IUPAC Name: 4-[(4-hexylphenyl)diazenyl]benzoic acid; methanamine Traditional Name: 4-(4-hexylphenyl)azobenzoic acid; methylamine Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)O.CN

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)O.CN

InChI

InChI=1S/C19H22N2O2.CH5N/c1-2-3-4-5-6-15-7-11-17(12-8-15)20-21-18-13-9-16(10-14-18)19(22)23;1-2/h7-14H,2-6H2,1H3,(H,22,23);2H2,1H3