(carbonocyanidoyliminomethylamino) 4-methylbenzenesulfonate

Systemtic Name: (carbonocyanidoyliminomethylamino) 4-methylbenzenesulfonate Openeye Name: (carbonocyanidoyliminomethylamino) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (carbonocyanidoyliminomethylamino) ester IUPAC Name: (carbonocyanidoyliminomethylamino) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (carbonocyanidoyliminomethylamino) ester Formula: C10H9N3O4S MolecularWeight: 267.26116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ONC=NC(=O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ONC=NC(=O)C#N

InChI

InChI=1S/C10H9N3O4S/c1-8-2-4-9(5-3-8)18(15,16)17-13-7-12-10(14)6-11/h2-5,7H,1H3,(H,12,13,14)