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

Systemtic Name: octyl 4-(4-octylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: octyl 4-hydroxy-4-(4-octylphenyl)cyclohexanecarboxylate CAS Name: 4-hydroxy-4-(4-octylphenyl)-1-cyclohexanecarboxylic acid octyl ester IUPAC Name: octyl 4-hydroxy-4-(4-octylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-(4-octylphenyl)cyclohexanecarboxylic acid octyl ester Formula: C29H48O3 MolecularWeight: 444.68962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48O3/c1-3-5-7-9-11-13-15-25-16-18-27(19-17-25)29(31)22-20-26(21-23-29)28(30)32-24-14-12-10-8-6-4-2/h16-19,26,31H,3-15,20-24H2,1-2H3