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

Systemtic Name: heptyl 4-(4-octoxyphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: heptyl 4-hydroxy-4-(4-octoxyphenyl)cyclohexanecarboxylate CAS Name: 4-hydroxy-4-(4-octoxyphenyl)-1-cyclohexanecarboxylic acid heptyl ester IUPAC Name: heptyl 4-hydroxy-4-(4-octoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-(4-octoxyphenyl)cyclohexanecarboxylic acid heptyl ester Formula: C28H46O4 MolecularWeight: 446.66244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O4/c1-3-5-7-9-11-12-22-31-26-16-14-25(15-17-26)28(30)20-18-24(19-21-28)27(29)32-23-13-10-8-6-4-2/h14-17,24,30H,3-13,18-23H2,1-2H3