octan-2-yl 4-[4-(4-pentoxyphenyl)phenyl]cyclohexene-1-carboxylate

Systemtic Name: octan-2-yl 4-[4-(4-pentoxyphenyl)phenyl]cyclohexene-1-carboxylate Openeye Name: 1-methylheptyl 4-[4-(4-pentoxyphenyl)phenyl]cyclohexene-1-carboxylate CAS Name: 4-[4-(4-pentoxyphenyl)phenyl]-1-cyclohexenecarboxylic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[4-(4-pentoxyphenyl)phenyl]cyclohexene-1-carboxylate Traditional Name: 4-[4-(4-amoxyphenyl)phenyl]cyclohexene-1-carboxylic acid 1-methylheptyl ester Formula: C32H44O3 MolecularWeight: 476.68996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCC

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCC

InChI

InChI=1S/C32H44O3/c1-4-6-8-9-11-25(3)35-32(33)30-18-16-28(17-19-30)26-12-14-27(15-13-26)29-20-22-31(23-21-29)34-24-10-7-5-2/h12-15,18,20-23,25,28H,4-11,16-17,19,24H2,1-3H3