ethyl 4-[4-(4-octoxyphenyl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[4-(4-octoxyphenyl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: ethyl 4-hydroxy-4-[4-(4-octoxyphenyl)phenyl]cyclohexanecarboxylate CAS Name: 4-hydroxy-4-[4-(4-octoxyphenyl)phenyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-4-[4-(4-octoxyphenyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-[4-(4-octoxyphenyl)phenyl]cyclohexanecarboxylic acid ethyl ester Formula: C29H40O4 MolecularWeight: 452.6255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)C(=O)OCC)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)C(=O)OCC)O

InChI

InChI=1S/C29H40O4/c1-3-5-6-7-8-9-22-33-27-16-12-24(13-17-27)23-10-14-26(15-11-23)29(31)20-18-25(19-21-29)28(30)32-4-2/h10-17,25,31H,3-9,18-22H2,1-2H3