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

Systemtic Name: hexadecyl 4-chloranyl-3-[(4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]benzoate Openeye Name: hexadecyl 4-chloro-3-[(4,4-dimethyl-3-oxo-pentanoyl)amino]benzoate CAS Name: 4-chloro-3-[(4,4-dimethyl-1,3-dioxopentyl)amino]benzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-chloro-3-[(4,4-dimethyl-3-oxopentanoyl)amino]benzoate Traditional Name: 4-chloro-3-[(3-keto-4,4-dimethyl-pentanoyl)amino]benzoic acid cetyl ester Formula: C30H48ClNO4 MolecularWeight: 522.15942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H48ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-36-29(35)24-19-20-25(31)26(22-24)32-28(34)23-27(33)30(2,3)4/h19-20,22H,5-18,21,23H2,1-4H3,(H,32,34)