pentyl 4-(4-butylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: pentyl 4-(4-butylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: pentyl 4-(4-butylphenyl)-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-(4-butylphenyl)-4-hydroxy-1-cyclohexanecarboxylic acid pentyl ester IUPAC Name: pentyl 4-(4-butylphenyl)-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-(4-butylphenyl)-4-hydroxy-cyclohexanecarboxylic acid amyl ester Formula: C22H34O3 MolecularWeight: 346.50356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)CCCC)O

Isomeric SMILES

CCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)CCCC)O

InChI

InChI=1S/C22H34O3/c1-3-5-7-17-25-21(23)19-13-15-22(24,16-14-19)20-11-9-18(10-12-20)8-6-4-2/h9-12,19,24H,3-8,13-17H2,1-2H3