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

Systemtic Name: pentyl 4-(4-octylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: pentyl 4-hydroxy-4-(4-octylphenyl)cyclohexanecarboxylate CAS Name: 4-hydroxy-4-(4-octylphenyl)-1-cyclohexanecarboxylic acid pentyl ester IUPAC Name: pentyl 4-hydroxy-4-(4-octylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-(4-octylphenyl)cyclohexanecarboxylic acid amyl ester Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O3/c1-3-5-7-8-9-10-12-22-13-15-24(16-14-22)26(28)19-17-23(18-20-26)25(27)29-21-11-6-4-2/h13-16,23,28H,3-12,17-21H2,1-2H3