(4-chlorophenyl)methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

Systemtic Name: (4-chlorophenyl)methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate Openeye Name: (4-chlorophenyl)methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate CAS Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate Traditional Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid (4-chlorobenzyl) ester Formula: C27H33ClO2 MolecularWeight: 425.00272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OCC2=CC=C(C=C2)Cl)C)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)OCC2=CC=C(C=C2)Cl)/C)/C

InChI

InChI=1S/C27H33ClO2/c1-20(11-16-25-22(3)10-7-17-27(25,4)5)8-6-9-21(2)18-26(29)30-19-23-12-14-24(28)15-13-23/h6,8-9,11-16,18H,7,10,17,19H2,1-5H3/b9-6+,16-11+,20-8+,21-18+