[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-3-butyltridec-2-en-7-ynoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-3-butyltridec-2-en-7-ynoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E)-3-butyltridec-2-en-7-ynoate CAS Name: (E)-3-butyltridec-2-en-7-ynoic 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] (E)-3-butyltridec-2-en-7-ynoate Traditional Name: (E)-3-butyltridec-2-en-7-ynoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C33H50O2 MolecularWeight: 478.7489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCCCC(=CC(=O)OC1CC(CCC1C(C)(C)C2=CC=CC=C2)C)CCCC

Isomeric SMILES

CCCCCC#CCCC/C(=C/C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=CC=C2)C)/CCCC

InChI

InChI=1S/C33H50O2/c1-6-8-10-11-12-13-14-16-20-28(19-9-7-2)26-32(34)35-31-25-27(3)23-24-30(31)33(4,5)29-21-17-15-18-22-29/h15,17-18,21-22,26-27,30-31H,6-11,14,16,19-20,23-25H2,1-5H3/b28-26+/t27-,30-,31-/m1/s1