[(2E,6E)-10-chloranyl-3,7,11-trimethyl-dodeca-2,6,11-trienyl] 3-methylbutanoate

Systemtic Name: [(2E,6E)-10-chloranyl-3,7,11-trimethyl-dodeca-2,6,11-trienyl] 3-methylbutanoate Openeye Name: [(2E,6E)-10-chloro-3,7,11-trimethyl-dodeca-2,6,11-trienyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(2E,6E)-10-chloro-3,7,11-trimethyldodeca-2,6,11-trienyl] ester IUPAC Name: [(2E,6E)-10-chloro-3,7,11-trimethyldodeca-2,6,11-trienyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(2E,6E)-10-chloro-3,7,11-trimethyl-dodeca-2,6,11-trienyl] ester Formula: C20H33ClO2 MolecularWeight: 340.92782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCC=C(C)CCC=C(C)CCC(C(=C)C)Cl

Isomeric SMILES

CC(C)CC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC(C(=C)C)Cl

InChI

InChI=1S/C20H33ClO2/c1-15(2)14-20(22)23-13-12-18(6)9-7-8-17(5)10-11-19(21)16(3)4/h8,12,15,19H,3,7,9-11,13-14H2,1-2,4-6H3/b17-8+,18-12+