(5-methyl-2-propan-2-yl-cyclohexyl) 1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-octoxy-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 1-octoxy-4-phenylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C31H46O3 MolecularWeight: 466.69514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3CC(CCC3C(C)C)C

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3CC(CCC3C(C)C)C

InChI

InChI=1S/C31H46O3/c1-5-6-7-8-9-13-22-33-31(20-18-27(19-21-31)26-14-11-10-12-15-26)30(32)34-29-23-25(4)16-17-28(29)24(2)3/h10-12,14-15,18-21,24-25,27-29H,5-9,13,16-17,22-23H2,1-4H3