3-(2-sulfopropoxycarbonyl)but-3-enoic acid

Systemtic Name: 3-(2-sulfopropoxycarbonyl)but-3-enoic acid Openeye Name: 3-(2-sulfopropoxycarbonyl)but-3-enoic acid CAS Name: 3-[oxo(2-sulfopropoxy)methyl]-3-butenoic acid IUPAC Name: 3-(2-sulfopropoxycarbonyl)but-3-enoic acid Traditional Name: 3-(2-sulfopropoxycarbonyl)but-3-enoic acid Formula: C8H12O7S MolecularWeight: 252.24168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12O7S/c1-5(3-7(9)10)8(11)15-4-6(2)16(12,13)14/h6H,1,3-4H2,2H3,(H,9,10)(H,12,13,14)