heptyl 4-(4-octylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: heptyl 4-(4-octylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: heptyl 4-hydroxy-4-(4-octylphenyl)cyclohexanecarboxylate CAS Name: 4-hydroxy-4-(4-octylphenyl)-1-cyclohexanecarboxylic acid heptyl ester IUPAC Name: heptyl 4-hydroxy-4-(4-octylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-(4-octylphenyl)cyclohexanecarboxylic acid heptyl ester Formula: C28H46O3 MolecularWeight: 430.66304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2(CCC(CC2)C(=O)OCCCCCCC)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2(CCC(CC2)C(=O)OCCCCCCC)O

InChI

InChI=1S/C28H46O3/c1-3-5-7-9-10-12-14-24-15-17-26(18-16-24)28(30)21-19-25(20-22-28)27(29)31-23-13-11-8-6-4-2/h15-18,25,30H,3-14,19-23H2,1-2H3