[2-(4-octoxyphenyl)-2-oxidanylidene-ethyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [2-(4-octoxyphenyl)-2-oxidanylidene-ethyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [2-(4-octoxyphenyl)-2-oxo-ethyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [2-(4-octoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-octoxyphenyl)-2-oxoethyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [2-keto-2-(4-octoxyphenyl)ethyl] ester Formula: C28H44O4 MolecularWeight: 444.64656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)COC(=O)C2CCC(CC2)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)COC(=O)C2CCC(CC2)CCCCC

InChI

InChI=1S/C28H44O4/c1-3-5-7-8-9-11-21-31-26-19-17-24(18-20-26)27(29)22-32-28(30)25-15-13-23(14-16-25)12-10-6-4-2/h17-20,23,25H,3-16,21-22H2,1-2H3