heptyl 4-[4-(4-octoxyphenyl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: heptyl 4-[4-(4-octoxyphenyl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: heptyl 4-hydroxy-4-[4-(4-octoxyphenyl)phenyl]cyclohexanecarboxylate CAS Name: 4-hydroxy-4-[4-(4-octoxyphenyl)phenyl]-1-cyclohexanecarboxylic acid heptyl ester IUPAC Name: heptyl 4-hydroxy-4-[4-(4-octoxyphenyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-[4-(4-octoxyphenyl)phenyl]cyclohexanecarboxylic acid heptyl ester Formula: C34H50O4 MolecularWeight: 522.7584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)C(=O)OCCCCCCC)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)C(=O)OCCCCCCC)O

InChI

InChI=1S/C34H50O4/c1-3-5-7-9-11-12-26-37-32-20-16-29(17-21-32)28-14-18-31(19-15-28)34(36)24-22-30(23-25-34)33(35)38-27-13-10-8-6-4-2/h14-21,30,36H,3-13,22-27H2,1-2H3