3-sulfooxycarbonylheptanoic acid

Systemtic Name: 3-sulfooxycarbonylheptanoic acid Openeye Name: 3-sulfooxycarbonylheptanoic acid CAS Name: 3-[oxo(sulfooxy)methyl]heptanoic acid IUPAC Name: 3-sulfooxycarbonylheptanoic acid Traditional Name: 3-sulfoxycarbonylenanthic acid Formula: C8H14O7S MolecularWeight: 254.25756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)O)C(=O)OS(=O)(=O)O

Isomeric SMILES

CCCCC(CC(=O)O)C(=O)OS(=O)(=O)O

InChI

InChI=1S/C8H14O7S/c1-2-3-4-6(5-7(9)10)8(11)15-16(12,13)14/h6H,2-5H2,1H3,(H,9,10)(H,12,13,14)