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

Systemtic Name: pentyl 4-oxidanyl-4-[4-(4-propoxyphenyl)phenyl]cyclohexane-1-carboxylate Openeye Name: pentyl 4-hydroxy-4-[4-(4-propoxyphenyl)phenyl]cyclohexanecarboxylate CAS Name: 4-hydroxy-4-[4-(4-propoxyphenyl)phenyl]-1-cyclohexanecarboxylic acid pentyl ester IUPAC Name: pentyl 4-hydroxy-4-[4-(4-propoxyphenyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-[4-(4-propoxyphenyl)phenyl]cyclohexanecarboxylic acid amyl ester Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36O4/c1-3-5-6-20-31-26(28)23-15-17-27(29,18-16-23)24-11-7-21(8-12-24)22-9-13-25(14-10-22)30-19-4-2/h7-14,23,29H,3-6,15-20H2,1-2H3