methyl (2E)-2-(4-methylphenyl)sulfonyliminoethanoate; (2E)-2-(phenylsulfonylimino)ethanoic acid

Systemtic Name: methyl (2E)-2-(4-methylphenyl)sulfonyliminoethanoate; (2E)-2-(phenylsulfonylimino)ethanoic acid Openeye Name: (2E)-2-(benzenesulfonylimino)acetic acid; methyl (2E)-2-(p-tolylsulfonylimino)acetate CAS Name: (2E)-2-(benzenesulfonylimino)acetic acid; (2E)-2-(4-methylphenyl)sulfonyliminoacetic acid methyl ester IUPAC Name: (2E)-2-(benzenesulfonylimino)acetic acid; methyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate Traditional Name: (2E)-2-besyliminoacetic acid; (2E)-2-tosyliminoacetic acid methyl ester Formula: C18H18N2O8S2 MolecularWeight: 454.47412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=CC(=O)OC.C1=CC=C(C=C1)S(=O)(=O)N=CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C/C(=O)OC.C1=CC=C(C=C1)S(=O)(=O)/N=C/C(=O)O

InChI

InChI=1S/C10H11NO4S.C8H7NO4S/c1-8-3-5-9(6-4-8)16(13,14)11-7-10(12)15-2;10-8(11)6-9-14(12,13)7-4-2-1-3-5-7/h3-7H,1-2H3;1-6H,(H,10,11)/b11-7+;9-6+