4-[hexadecyl-(4-oxidanyl-4-oxidanylidene-butanoyl)amino]benzoic acid

Systemtic Name: 4-[hexadecyl-(4-oxidanyl-4-oxidanylidene-butanoyl)amino]benzoic acid Openeye Name: 4-[hexadecyl-(4-hydroxy-4-oxo-butanoyl)amino]benzoic acid CAS Name: 4-[hexadecyl-(4-hydroxy-1,4-dioxobutyl)amino]benzoic acid IUPAC Name: 4-[hexadecyl-(4-hydroxy-4-oxobutanoyl)amino]benzoic acid Traditional Name: 4-[cetyl-(4-hydroxy-4-keto-butanoyl)amino]benzoic acid Formula: C27H43NO5 MolecularWeight: 461.63402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C1=CC=C(C=C1)C(=O)O)C(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C1=CC=C(C=C1)C(=O)O)C(=O)CCC(=O)O

InChI

InChI=1S/C27H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-28(25(29)20-21-26(30)31)24-18-16-23(17-19-24)27(32)33/h16-19H,2-15,20-22H2,1H3,(H,30,31)(H,32,33)