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

Systemtic Name: butyl 4-(4-octylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: butyl 4-hydroxy-4-(4-octylphenyl)cyclohexanecarboxylate CAS Name: 4-hydroxy-4-(4-octylphenyl)-1-cyclohexanecarboxylic acid butyl ester IUPAC Name: butyl 4-hydroxy-4-(4-octylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-(4-octylphenyl)cyclohexanecarboxylic acid butyl ester Formula: C25H40O3 MolecularWeight: 388.5833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2(CCC(CC2)C(=O)OCCCC)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2(CCC(CC2)C(=O)OCCCC)O

InChI

InChI=1S/C25H40O3/c1-3-5-7-8-9-10-11-21-12-14-23(15-13-21)25(27)18-16-22(17-19-25)24(26)28-20-6-4-2/h12-15,22,27H,3-11,16-20H2,1-2H3