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

Systemtic Name: butyl 4-(4-octoxyphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: butyl 4-hydroxy-4-(4-octoxyphenyl)cyclohexanecarboxylate CAS Name: 4-hydroxy-4-(4-octoxyphenyl)-1-cyclohexanecarboxylic acid butyl ester IUPAC Name: butyl 4-hydroxy-4-(4-octoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-(4-octoxyphenyl)cyclohexanecarboxylic acid butyl ester Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O4/c1-3-5-7-8-9-10-20-28-23-13-11-22(12-14-23)25(27)17-15-21(16-18-25)24(26)29-19-6-4-2/h11-14,21,27H,3-10,15-20H2,1-2H3