3-(1-sulfopropoxycarbonyl)but-3-enoic acid

Systemtic Name: 3-(1-sulfopropoxycarbonyl)but-3-enoic acid Openeye Name: 3-(1-sulfopropoxycarbonyl)but-3-enoic acid CAS Name: 3-[oxo(1-sulfopropoxy)methyl]-3-butenoic acid IUPAC Name: 3-(1-sulfopropoxycarbonyl)but-3-enoic acid Traditional Name: 3-(1-sulfopropoxycarbonyl)but-3-enoic acid Formula: C8H12O7S MolecularWeight: 252.24168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12O7S/c1-3-7(16(12,13)14)15-8(11)5(2)4-6(9)10/h7H,2-4H2,1H3,(H,9,10)(H,12,13,14)