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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40O4/c1-3-5-7-8-22-33-28(30)25-17-19-29(31,20-18-25)26-13-9-23(10-14-26)24-11-15-27(16-12-24)32-21-6-4-2/h9-16,25,31H,3-8,17-22H2,1-2H3