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

Systemtic Name: methyl 4-(4-heptylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl 4-(4-heptylphenyl)-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-(4-heptylphenyl)-4-hydroxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-heptylphenyl)-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-(4-heptylphenyl)-4-hydroxy-cyclohexanecarboxylic acid methyl ester Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O3/c1-3-4-5-6-7-8-17-9-11-19(12-10-17)21(23)15-13-18(14-16-21)20(22)24-2/h9-12,18,23H,3-8,13-16H2,1-2H3