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

Systemtic Name: heptyl 4-(4-butylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: heptyl 4-(4-butylphenyl)-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-(4-butylphenyl)-4-hydroxy-1-cyclohexanecarboxylic acid heptyl ester IUPAC Name: heptyl 4-(4-butylphenyl)-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-(4-butylphenyl)-4-hydroxy-cyclohexanecarboxylic acid heptyl ester Formula: C24H38O3 MolecularWeight: 374.55672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)CCCC)O

Isomeric SMILES

CCCCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)CCCC)O

InChI

InChI=1S/C24H38O3/c1-3-5-7-8-9-19-27-23(25)21-15-17-24(26,18-16-21)22-13-11-20(12-14-22)10-6-4-2/h11-14,21,26H,3-10,15-19H2,1-2H3