hexyl 4-(4-heptylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2(CCC(CC2)C(=O)OCCCCCC)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2(CCC(CC2)C(=O)OCCCCCC)O

InChI

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