(7E,10E)-1-(2,4-dichlorophenyl)-3-oxidanyl-2-pentan-2-yl-hexadeca-7,10-dien-1-one

Systemtic Name: (7E,10E)-1-(2,4-dichlorophenyl)-3-oxidanyl-2-pentan-2-yl-hexadeca-7,10-dien-1-one Openeye Name: (7E,10E)-1-(2,4-dichlorophenyl)-3-hydroxy-2-(1-methylbutyl)hexadeca-7,10-dien-1-one CAS Name: (7E,10E)-1-(2,4-dichlorophenyl)-3-hydroxy-2-pentan-2-yl-1-hexadeca-7,10-dienone IUPAC Name: (7E,10E)-1-(2,4-dichlorophenyl)-3-hydroxy-2-pentan-2-ylhexadeca-7,10-dien-1-one Traditional Name: (7E,10E)-1-(2,4-dichlorophenyl)-3-hydroxy-2-(1-methylbutyl)hexadeca-7,10-dien-1-one Formula: C27H40Cl2O2 MolecularWeight: 467.5113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCC(C(C(C)CCC)C(=O)C1=C(C=C(C=C1)Cl)Cl)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCC(C(C(C)CCC)C(=O)C1=C(C=C(C=C1)Cl)Cl)O

InChI

InChI=1S/C27H40Cl2O2/c1-4-6-7-8-9-10-11-12-13-14-15-17-25(30)26(21(3)16-5-2)27(31)23-19-18-22(28)20-24(23)29/h9-10,12-13,18-21,25-26,30H,4-8,11,14-17H2,1-3H3/b10-9+,13-12+