sodium (E)-4-oxidanylidene-4-(1-sulfoethoxy)but-2-enoate

Systemtic Name: sodium (E)-4-oxidanylidene-4-(1-sulfoethoxy)but-2-enoate Openeye Name: sodium (E)-4-oxo-4-(1-sulfoethoxy)but-2-enoate CAS Name: sodium (E)-4-oxo-4-(1-sulfoethoxy)-2-butenoate IUPAC Name: sodium (E)-4-oxo-4-(1-sulfoethoxy)but-2-enoate Traditional Name: sodium (E)-4-keto-4-(1-sulfoethoxy)but-2-enoate Formula: C6H7NaO7S MolecularWeight: 246.17035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7S.Na/c1-4(14(10,11)12)13-6(9)3-2-5(7)8;/h2-4H,1H3,(H,7,8)(H,10,11,12);/q;+1/p-1/b3-2+;