(E)-4-oxidanylidene-4-(2-sulfopropoxy)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(2-sulfopropoxy)but-2-enoic acid Openeye Name: (E)-4-oxo-4-(2-sulfopropoxy)but-2-enoic acid CAS Name: (E)-4-oxo-4-(2-sulfopropoxy)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(2-sulfopropoxy)but-2-enoic acid Traditional Name: (E)-4-keto-4-(2-sulfopropoxy)but-2-enoic acid Formula: C7H10O7S MolecularWeight: 238.2151

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C=CC(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C7H10O7S/c1-5(15(11,12)13)4-14-7(10)3-2-6(8)9/h2-3,5H,4H2,1H3,(H,8,9)(H,11,12,13)/b3-2+