azanium (E)-2-(1-sulfoethyl)but-2-enedioate

Systemtic Name: azanium (E)-2-(1-sulfoethyl)but-2-enedioate Openeye Name: ammonium (E)-2-(1-sulfoethyl)but-2-enedioate CAS Name: ammonium (E)-2-(1-sulfoethyl)-2-butenedioate IUPAC Name: azanium (E)-2-(1-sulfoethyl)but-2-enedioate Traditional Name: ammonium (E)-2-(1-sulfoethyl)but-2-enedioate Formula: C6H10NO7S- MolecularWeight: 240.2111

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=CC(=O)[O-])C(=O)[O-])S(=O)(=O)O.[NH4+]

Isomeric SMILES

CC(/C(=C/C(=O)[O-])/C(=O)[O-])S(=O)(=O)O.[NH4+]

InChI

InChI=1S/C6H8O7S.H3N/c1-3(14(11,12)13)4(6(9)10)2-5(7)8;/h2-3H,1H3,(H,7,8)(H,9,10)(H,11,12,13);1H3/p-1/b4-2-;