octyl 4-(4-heptoxyphenyl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: octyl 4-(4-heptoxyphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: octyl 4-(4-heptoxyphenyl)-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-(4-heptoxyphenyl)-4-hydroxy-1-cyclohexanecarboxylic acid octyl ester IUPAC Name: octyl 4-(4-heptoxyphenyl)-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-(4-heptoxyphenyl)-4-hydroxy-cyclohexanecarboxylic acid octyl ester Formula: C28H46O4 MolecularWeight: 446.66244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)OCCCCCCC)O

Isomeric SMILES

CCCCCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)OCCCCCCC)O

InChI

InChI=1S/C28H46O4/c1-3-5-7-9-11-13-23-32-27(29)24-18-20-28(30,21-19-24)25-14-16-26(17-15-25)31-22-12-10-8-6-4-2/h14-17,24,30H,3-13,18-23H2,1-2H3