diphenyl 4-methylsulfanylpyrrole-1,3-disulfonate

Systemtic Name: diphenyl 4-methylsulfanylpyrrole-1,3-disulfonate Openeye Name: diphenyl 4-methylsulfanylpyrrole-1,3-disulfonate CAS Name: 4-(methylthio)pyrrole-1,3-disulfonic acid diphenyl ester IUPAC Name: diphenyl 4-methylsulfanylpyrrole-1,3-disulfonate Traditional Name: 4-(methylthio)pyrrole-1,3-disulfonic acid diphenyl ester Formula: C17H15NO6S3 MolecularWeight: 425.4991

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN(C=C1S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CSC1=CN(C=C1S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H15NO6S3/c1-25-16-12-18(27(21,22)24-15-10-6-3-7-11-15)13-17(16)26(19,20)23-14-8-4-2-5-9-14/h2-13H,1H3