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

Systemtic Name: hexadecyl 3-[(2-bromanyl-2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]benzoate Openeye Name: hexadecyl 3-[(2-bromo-2-chloro-4,4-dimethyl-3-oxo-pentanoyl)amino]benzoate CAS Name: 3-[(2-bromo-2-chloro-4,4-dimethyl-1,3-dioxopentyl)amino]benzoic acid hexadecyl ester IUPAC Name: hexadecyl 3-[(2-bromo-2-chloro-4,4-dimethyl-3-oxopentanoyl)amino]benzoate Traditional Name: 3-[(2-bromo-2-chloro-3-keto-4,4-dimethyl-pentanoyl)amino]benzoic acid cetyl ester Formula: C30H47BrClNO4 MolecularWeight: 601.05548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H47BrClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-37-26(34)24-20-19-21-25(23-24)33-28(36)30(31,32)27(35)29(2,3)4/h19-21,23H,5-18,22H2,1-4H3,(H,33,36)