hexyl 4-(4-octoxyphenyl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: hexyl 4-(4-octoxyphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: hexyl 4-hydroxy-4-(4-octoxyphenyl)cyclohexanecarboxylate CAS Name: 4-hydroxy-4-(4-octoxyphenyl)-1-cyclohexanecarboxylic acid hexyl ester IUPAC Name: hexyl 4-hydroxy-4-(4-octoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-(4-octoxyphenyl)cyclohexanecarboxylic acid hexyl ester Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2(CCC(CC2)C(=O)OCCCCCC)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2(CCC(CC2)C(=O)OCCCCCC)O

InChI

InChI=1S/C27H44O4/c1-3-5-7-9-10-12-21-30-25-15-13-24(14-16-25)27(29)19-17-23(18-20-27)26(28)31-22-11-8-6-4-2/h13-16,23,29H,3-12,17-22H2,1-2H3