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

Systemtic Name: dodecyl 3,5-bis[(2-bromanyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]-4-chloranyl-benzoate Openeye Name: dodecyl 3,5-bis[(2-bromo-4,4-dimethyl-3-oxo-pentanoyl)amino]-4-chloro-benzoate CAS Name: 3,5-bis[(2-bromo-4,4-dimethyl-1,3-dioxopentyl)amino]-4-chlorobenzoic acid dodecyl ester IUPAC Name: dodecyl 3,5-bis[(2-bromo-4,4-dimethyl-3-oxopentanoyl)amino]-4-chlorobenzoate Traditional Name: 3,5-bis[(2-bromo-3-keto-4,4-dimethyl-pentanoyl)amino]-4-chloro-benzoic acid lauryl ester Formula: C33H49Br2ClN2O6 MolecularWeight: 765.01296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H49Br2ClN2O6/c1-8-9-10-11-12-13-14-15-16-17-18-44-31(43)21-19-22(37-29(41)24(34)27(39)32(2,3)4)26(36)23(20-21)38-30(42)25(35)28(40)33(5,6)7/h19-20,24-25H,8-18H2,1-7H3,(H,37,41)(H,38,42)