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

Systemtic Name: pentyl 4-(4-octoxyphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: pentyl 4-hydroxy-4-(4-octoxyphenyl)cyclohexanecarboxylate CAS Name: 4-hydroxy-4-(4-octoxyphenyl)-1-cyclohexanecarboxylic acid pentyl ester IUPAC Name: pentyl 4-hydroxy-4-(4-octoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-(4-octoxyphenyl)cyclohexanecarboxylic acid amyl ester Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O4/c1-3-5-7-8-9-11-20-29-24-14-12-23(13-15-24)26(28)18-16-22(17-19-26)25(27)30-21-10-6-4-2/h12-15,22,28H,3-11,16-21H2,1-2H3