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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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