methyl 3-(2-methyl-5-oxidanylsulfonothioyl-phenyl)propanoate

Systemtic Name: methyl 3-(2-methyl-5-oxidanylsulfonothioyl-phenyl)propanoate Openeye Name: methyl 3-(5-hydroxysulfonothioyl-2-methyl-phenyl)propanoate CAS Name: 3-(5-hydroxysulfonothioyl-2-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(5-hydroxysulfonothioyl-2-methylphenyl)propanoate Traditional Name: 3-(5-hydroxysulfonothioyl-2-methyl-phenyl)propionic acid methyl ester Formula: C11H14O4S2 MolecularWeight: 274.35646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=S)O)CCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=S)O)CCC(=O)OC

InChI

InChI=1S/C11H14O4S2/c1-8-3-5-10(17(13,14)16)7-9(8)4-6-11(12)15-2/h3,5,7H,4,6H2,1-2H3,(H,13,14,16)