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

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

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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)OCCC)O

Isomeric SMILES

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

InChI

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