phenyl 1-methyl-4-methylsulfanyl-pyrrole-3-sulfonate

Systemtic Name: phenyl 1-methyl-4-methylsulfanyl-pyrrole-3-sulfonate Openeye Name: phenyl 1-methyl-4-methylsulfanyl-pyrrole-3-sulfonate CAS Name: 1-methyl-4-(methylthio)-3-pyrrolesulfonic acid phenyl ester IUPAC Name: phenyl 1-methyl-4-methylsulfanylpyrrole-3-sulfonate Traditional Name: 1-methyl-4-(methylthio)pyrrole-3-sulfonic acid phenyl ester Formula: C12H13NO3S2 MolecularWeight: 283.36652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)SC

Isomeric SMILES

CN1C=C(C(=C1)S(=O)(=O)OC2=CC=CC=C2)SC

InChI

InChI=1S/C12H13NO3S2/c1-13-8-11(17-2)12(9-13)18(14,15)16-10-6-4-3-5-7-10/h3-9H,1-2H3