ethyl 4-[4-(4-heptoxyphenyl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[4-(4-heptoxyphenyl)phenyl]-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: ethyl 4-[4-(4-heptoxyphenyl)phenyl]-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-[4-(4-heptoxyphenyl)phenyl]-4-hydroxy-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-heptoxyphenyl)phenyl]-4-hydroxycyclohexane-1-carboxylate Traditional Name: 4-[4-(4-heptoxyphenyl)phenyl]-4-hydroxy-cyclohexanecarboxylic acid ethyl ester Formula: C28H38O4 MolecularWeight: 438.59892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)C(=O)OCC)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)C(=O)OCC)O

InChI

InChI=1S/C28H38O4/c1-3-5-6-7-8-21-32-26-15-11-23(12-16-26)22-9-13-25(14-10-22)28(30)19-17-24(18-20-28)27(29)31-4-2/h9-16,24,30H,3-8,17-21H2,1-2H3