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

Systemtic Name: pentyl 4-[4-(4-butoxyphenyl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: pentyl 4-[4-(4-butoxyphenyl)phenyl]-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-[4-(4-butoxyphenyl)phenyl]-4-hydroxy-1-cyclohexanecarboxylic acid pentyl ester IUPAC Name: pentyl 4-[4-(4-butoxyphenyl)phenyl]-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-[4-(4-butoxyphenyl)phenyl]-4-hydroxy-cyclohexanecarboxylic acid amyl ester Formula: C28H38O4 MolecularWeight: 438.59892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38O4/c1-3-5-7-21-32-27(29)24-16-18-28(30,19-17-24)25-12-8-22(9-13-25)23-10-14-26(15-11-23)31-20-6-4-2/h8-15,24,30H,3-7,16-21H2,1-2H3