methyl 4-[4-(6-cyclohexyl-1-oxidanyl-hexyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(6-cyclohexyl-1-oxidanyl-hexyl)phenyl]butanoate Openeye Name: methyl 4-[4-(6-cyclohexyl-1-hydroxy-hexyl)phenyl]butanoate CAS Name: 4-[4-(6-cyclohexyl-1-hydroxyhexyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(6-cyclohexyl-1-hydroxyhexyl)phenyl]butanoate Traditional Name: 4-[4-(6-cyclohexyl-1-hydroxy-hexyl)phenyl]butyric acid methyl ester Formula: C23H36O3 MolecularWeight: 360.53014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(CCCCCC2CCCCC2)O

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(CCCCCC2CCCCC2)O

InChI

InChI=1S/C23H36O3/c1-26-23(25)14-8-12-20-15-17-21(18-16-20)22(24)13-7-3-6-11-19-9-4-2-5-10-19/h15-19,22,24H,2-14H2,1H3