dodecyl 4-chloranyl-3,5-bis[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]benzoate

Systemtic Name: dodecyl 4-chloranyl-3,5-bis[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]benzoate Openeye Name: dodecyl 4-chloro-3,5-bis[(2-chloro-4,4-dimethyl-3-oxo-pentanoyl)amino]benzoate CAS Name: 4-chloro-3,5-bis[(2-chloro-4,4-dimethyl-1,3-dioxopentyl)amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3,5-bis[(2-chloro-4,4-dimethyl-3-oxopentanoyl)amino]benzoate Traditional Name: 4-chloro-3,5-bis[(2-chloro-3-keto-4,4-dimethyl-pentanoyl)amino]benzoic acid lauryl ester Formula: C33H49Cl3N2O6 MolecularWeight: 676.11096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H49Cl3N2O6/c1-8-9-10-11-12-13-14-15-16-17-18-44-31(43)21-19-22(37-29(41)25(35)27(39)32(2,3)4)24(34)23(20-21)38-30(42)26(36)28(40)33(5,6)7/h19-20,25-26H,8-18H2,1-7H3,(H,37,41)(H,38,42)