methyl 6-ethylsulfanyl-5-methyl-4-oxidanylidene-heptanoate

Systemtic Name: methyl 6-ethylsulfanyl-5-methyl-4-oxidanylidene-heptanoate Openeye Name: methyl 6-ethylsulfanyl-5-methyl-4-oxo-heptanoate CAS Name: 6-(ethylthio)-5-methyl-4-oxoheptanoic acid methyl ester IUPAC Name: methyl 6-ethylsulfanyl-5-methyl-4-oxoheptanoate Traditional Name: 6-(ethylthio)-4-keto-5-methyl-enanthic acid methyl ester Formula: C11H20O3S MolecularWeight: 232.3397

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)C(C)C(=O)CCC(=O)OC

Isomeric SMILES

CCSC(C)C(C)C(=O)CCC(=O)OC

InChI

InChI=1S/C11H20O3S/c1-5-15-9(3)8(2)10(12)6-7-11(13)14-4/h8-9H,5-7H2,1-4H3