[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (1S,6E)-2-oxidanylidene-1-propyl-6-propylidene-cyclohexane-1-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (1S,6E)-2-oxidanylidene-1-propyl-6-propylidene-cyclohexane-1-carboxylate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (1S,6E)-2-oxo-1-propyl-6-propylidene-cyclohexanecarboxylate CAS Name: (1S,6E)-2-oxo-1-propyl-6-propylidene-1-cyclohexanecarboxylic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (1S,6E)-2-oxo-1-propyl-6-propylidenecyclohexane-1-carboxylate Traditional Name: (1S,6E)-2-keto-1-propyl-6-propylidene-cyclohexanecarboxylic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C29H42O3 MolecularWeight: 438.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=CCC)CCCC1=O)C(=O)OC2CC(CCC2C(C)(C)C3=CC=CC=C3)C

Isomeric SMILES

CCC[C@@]1(/C(=C/CC)/CCCC1=O)C(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)(C)C3=CC=CC=C3)C

InChI

InChI=1S/C29H42O3/c1-6-12-23-15-11-16-26(30)29(23,19-7-2)27(31)32-25-20-21(3)17-18-24(25)28(4,5)22-13-9-8-10-14-22/h8-10,12-14,21,24-25H,6-7,11,15-20H2,1-5H3/b23-12+/t21-,24-,25-,29+/m1/s1