4-hexadecoxy-3-[(2-hydroxyimino-3-oxidanylidene-butanoyl)amino]benzoic acid

Systemtic Name: 4-hexadecoxy-3-[(2-hydroxyimino-3-oxidanylidene-butanoyl)amino]benzoic acid Openeye Name: 4-hexadecoxy-3-[(2-hydroxyimino-3-oxo-butanoyl)amino]benzoic acid CAS Name: 4-hexadecoxy-3-[(2-hydroxyimino-1,3-dioxobutyl)amino]benzoic acid IUPAC Name: 4-hexadecoxy-3-[(2-hydroxyimino-3-oxobutanoyl)amino]benzoic acid Traditional Name: 4-cetyloxy-3-[(2-hydroximino-3-keto-butanoyl)amino]benzoic acid Formula: C27H42N2O6 MolecularWeight: 490.63218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)O)NC(=O)C(=NO)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)O)NC(=O)C(=NO)C(=O)C

InChI

InChI=1S/C27H42N2O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-35-24-18-17-22(27(32)33)20-23(24)28-26(31)25(29-34)21(2)30/h17-18,20,34H,3-16,19H2,1-2H3,(H,28,31)(H,32,33)