(Z)-3-(1-sulfopropoxycarbonyl)non-2-enoic acid

Systemtic Name: (Z)-3-(1-sulfopropoxycarbonyl)non-2-enoic acid Openeye Name: (Z)-3-(1-sulfopropoxycarbonyl)non-2-enoic acid CAS Name: (Z)-3-[oxo(1-sulfopropoxy)methyl]-2-nonenoic acid IUPAC Name: (Z)-3-(1-sulfopropoxycarbonyl)non-2-enoic acid Traditional Name: (Z)-3-(1-sulfopropoxycarbonyl)non-2-enoic acid Formula: C13H22O7S MolecularWeight: 322.37458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O7S/c1-3-5-6-7-8-10(9-11(14)15)13(16)20-12(4-2)21(17,18)19/h9,12H,3-8H2,1-2H3,(H,14,15)(H,17,18,19)/b10-9-