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

Systemtic Name: azanium (E)-2-(1-sulfopropyl)but-2-enedioate Openeye Name: ammonium (E)-2-(1-sulfopropyl)but-2-enedioate CAS Name: ammonium (E)-2-(1-sulfopropyl)-2-butenedioate IUPAC Name: azanium (E)-2-(1-sulfopropyl)but-2-enedioate Traditional Name: ammonium (E)-2-(1-sulfopropyl)but-2-enedioate Formula: C7H12NO7S- MolecularWeight: 254.23768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H10O7S.H3N/c1-2-5(15(12,13)14)4(7(10)11)3-6(8)9;/h3,5H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13,14);1H3/p-1/b4-3-;