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

Systemtic Name: methyl 4-oxidanylidene-4-[4-(3-oxidanylidenecyclohexyl)sulfanylphenyl]butanoate Openeye Name: methyl 4-oxo-4-[4-(3-oxocyclohexyl)sulfanylphenyl]butanoate CAS Name: 4-oxo-4-[4-[(3-oxocyclohexyl)thio]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[4-(3-oxocyclohexyl)sulfanylphenyl]butanoate Traditional Name: 4-keto-4-[4-[(3-ketocyclohexyl)thio]phenyl]butyric acid methyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O4S/c1-21-17(20)10-9-16(19)12-5-7-14(8-6-12)22-15-4-2-3-13(18)11-15/h5-8,15H,2-4,9-11H2,1H3