methyl 4-[4-(3-methylsulfonyloxycyclohexyl)sulfanylphenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-(3-methylsulfonyloxycyclohexyl)sulfanylphenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(3-methylsulfonyloxycyclohexyl)sulfanylphenyl]-4-oxo-butanoate CAS Name: 4-[4-[(3-methylsulfonyloxycyclohexyl)thio]phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(3-methylsulfonyloxycyclohexyl)sulfanylphenyl]-4-oxobutanoate Traditional Name: 4-keto-4-[4-[(3-methylsulfonyloxycyclohexyl)thio]phenyl]butyric acid methyl ester Formula: C18H24O6S2 MolecularWeight: 400.50956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=CC=C(C=C1)SC2CCCC(C2)OS(=O)(=O)C

Isomeric SMILES

COC(=O)CCC(=O)C1=CC=C(C=C1)SC2CCCC(C2)OS(=O)(=O)C

InChI

InChI=1S/C18H24O6S2/c1-23-18(20)11-10-17(19)13-6-8-15(9-7-13)25-16-5-3-4-14(12-16)24-26(2,21)22/h6-9,14,16H,3-5,10-12H2,1-2H3