hexadecyl 4-chloranyl-3-[(2,4,4-trimethyl-3-oxidanylidene-pentanoyl)amino]benzoate

Systemtic Name: hexadecyl 4-chloranyl-3-[(2,4,4-trimethyl-3-oxidanylidene-pentanoyl)amino]benzoate Openeye Name: hexadecyl 4-chloro-3-[(2,4,4-trimethyl-3-oxo-pentanoyl)amino]benzoate CAS Name: 4-chloro-3-[(2,4,4-trimethyl-1,3-dioxopentyl)amino]benzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-chloro-3-[(2,4,4-trimethyl-3-oxopentanoyl)amino]benzoate Traditional Name: 4-chloro-3-[(3-keto-2,4,4-trimethyl-pentanoyl)amino]benzoic acid cetyl ester Formula: C31H50ClNO4 MolecularWeight: 536.186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)C(=O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)C(=O)C(C)(C)C

InChI

InChI=1S/C31H50ClNO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-37-30(36)25-20-21-26(32)27(23-25)33-29(35)24(2)28(34)31(3,4)5/h20-21,23-24H,6-19,22H2,1-5H3,(H,33,35)