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

Systemtic Name: hexyl 4-[4-(4-heptoxyphenyl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: hexyl 4-[4-(4-heptoxyphenyl)phenyl]-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-[4-(4-heptoxyphenyl)phenyl]-4-hydroxy-1-cyclohexanecarboxylic acid hexyl ester IUPAC Name: hexyl 4-[4-(4-heptoxyphenyl)phenyl]-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-[4-(4-heptoxyphenyl)phenyl]-4-hydroxy-cyclohexanecarboxylic acid hexyl ester Formula: C32H46O4 MolecularWeight: 494.70524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)C(=O)OCCCCCC)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)C(=O)OCCCCCC)O

InChI

InChI=1S/C32H46O4/c1-3-5-7-9-11-24-35-30-18-14-27(15-19-30)26-12-16-29(17-13-26)32(34)22-20-28(21-23-32)31(33)36-25-10-8-6-4-2/h12-19,28,34H,3-11,20-25H2,1-2H3