(E)-4-[(2-methyl-2-sulfo-propyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(2-methyl-2-sulfo-propyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(2-methyl-2-sulfo-propyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(2-methyl-2-sulfopropyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(2-methyl-2-sulfopropyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[(2-methyl-2-sulfo-propyl)amino]but-2-enoic acid Formula: C8H13NO6S MolecularWeight: 251.25692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C=CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(CNC(=O)/C=C/C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C8H13NO6S/c1-8(2,16(13,14)15)5-9-6(10)3-4-7(11)12/h3-4H,5H2,1-2H3,(H,9,10)(H,11,12)(H,13,14,15)/b4-3+