octyl 4-[4-(4-butoxyphenyl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: octyl 4-[4-(4-butoxyphenyl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: octyl 4-[4-(4-butoxyphenyl)phenyl]-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-[4-(4-butoxyphenyl)phenyl]-4-hydroxy-1-cyclohexanecarboxylic acid octyl ester IUPAC Name: octyl 4-[4-(4-butoxyphenyl)phenyl]-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-[4-(4-butoxyphenyl)phenyl]-4-hydroxy-cyclohexanecarboxylic acid octyl ester Formula: C31H44O4 MolecularWeight: 480.67866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCC)O

Isomeric SMILES

CCCCCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCC)O

InChI

InChI=1S/C31H44O4/c1-3-5-7-8-9-10-24-35-30(32)27-19-21-31(33,22-20-27)28-15-11-25(12-16-28)26-13-17-29(18-14-26)34-23-6-4-2/h11-18,27,33H,3-10,19-24H2,1-2H3