octyl 4-(4-heptylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: octyl 4-(4-heptylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: octyl 4-(4-heptylphenyl)-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-(4-heptylphenyl)-4-hydroxy-1-cyclohexanecarboxylic acid octyl ester IUPAC Name: octyl 4-(4-heptylphenyl)-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-(4-heptylphenyl)-4-hydroxy-cyclohexanecarboxylic acid octyl ester Formula: C28H46O3 MolecularWeight: 430.66304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)CCCCCCC)O

Isomeric SMILES

CCCCCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)CCCCCCC)O

InChI

InChI=1S/C28H46O3/c1-3-5-7-9-11-13-23-31-27(29)25-19-21-28(30,22-20-25)26-17-15-24(16-18-26)14-12-10-8-6-4-2/h15-18,25,30H,3-14,19-23H2,1-2H3