phenyl 4-cyclohexyl-4-octoxy-cyclohexane-1-carboxylate

Systemtic Name: phenyl 4-cyclohexyl-4-octoxy-cyclohexane-1-carboxylate Openeye Name: phenyl 4-cyclohexyl-4-octoxy-cyclohexanecarboxylate CAS Name: 4-cyclohexyl-4-octoxy-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-cyclohexyl-4-octoxycyclohexane-1-carboxylate Traditional Name: 4-cyclohexyl-4-octoxy-cyclohexanecarboxylic acid phenyl ester Formula: C27H42O3 MolecularWeight: 414.62058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

CCCCCCCCOC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C27H42O3/c1-2-3-4-5-6-13-22-29-27(24-14-9-7-10-15-24)20-18-23(19-21-27)26(28)30-25-16-11-8-12-17-25/h8,11-12,16-17,23-24H,2-7,9-10,13-15,18-22H2,1H3