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

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

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C27H36O4/c1-3-4-5-6-7-20-31-25-14-10-22(11-15-25)21-8-12-24(13-9-21)27(29)18-16-23(17-19-27)26(28)30-2/h8-15,23,29H,3-7,16-20H2,1-2H3