(E)-4-oxidanylidene-4-(1-sulfoethoxy)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(1-sulfoethoxy)but-2-enoic acid Openeye Name: (E)-4-oxo-4-(1-sulfoethoxy)but-2-enoic acid CAS Name: (E)-4-oxo-4-(1-sulfoethoxy)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(1-sulfoethoxy)but-2-enoic acid Traditional Name: (E)-4-keto-4-(1-sulfoethoxy)but-2-enoic acid Formula: C6H8O7S MolecularWeight: 224.18852

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C=CC(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

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