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

Systemtic Name: heptyl 4-(4-heptylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: heptyl 4-(4-heptylphenyl)-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-(4-heptylphenyl)-4-hydroxy-1-cyclohexanecarboxylic acid heptyl ester IUPAC Name: heptyl 4-(4-heptylphenyl)-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-(4-heptylphenyl)-4-hydroxy-cyclohexanecarboxylic acid heptyl ester Formula: C27H44O3 MolecularWeight: 416.63646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44O3/c1-3-5-7-9-11-13-23-14-16-25(17-15-23)27(29)20-18-24(19-21-27)26(28)30-22-12-10-8-6-4-2/h14-17,24,29H,3-13,18-22H2,1-2H3