[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-pentadec-2-en-8,14-diynoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-pentadec-2-en-8,14-diynoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (E)-pentadec-2-en-8,14-diynoate CAS Name: (E)-pentadec-2-en-8,14-diynoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (E)-pentadec-2-en-8,14-diynoate Traditional Name: (E)-pentadec-2-en-8,14-diynoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C25H38O2 MolecularWeight: 370.56802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=CCCCCC#CCCCCC#C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C=C/CCCCC#CCCCCC#C)C(C)C

InChI

InChI=1S/C25H38O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25(26)27-24-20-22(4)18-19-23(24)21(2)3/h1,16-17,21-24H,6-9,12-15,18-20H2,2-4H3/b17-16+/t22-,23+,24-/m1/s1