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

Systemtic Name: heptyl 4-[4-(4-butoxyphenyl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: heptyl 4-[4-(4-butoxyphenyl)phenyl]-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-[4-(4-butoxyphenyl)phenyl]-4-hydroxy-1-cyclohexanecarboxylic acid heptyl ester IUPAC Name: heptyl 4-[4-(4-butoxyphenyl)phenyl]-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-[4-(4-butoxyphenyl)phenyl]-4-hydroxy-cyclohexanecarboxylic acid heptyl ester Formula: C30H42O4 MolecularWeight: 466.65208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42O4/c1-3-5-7-8-9-23-34-29(31)26-18-20-30(32,21-19-26)27-14-10-24(11-15-27)25-12-16-28(17-13-25)33-22-6-4-2/h10-17,26,32H,3-9,18-23H2,1-2H3