3-hexoxycarbonyl-3-sulfo-pentanoic acid

Systemtic Name: 3-hexoxycarbonyl-3-sulfo-pentanoic acid Openeye Name: 3-hexoxycarbonyl-3-sulfo-pentanoic acid CAS Name: 3-[hexoxy(oxo)methyl]-3-sulfopentanoic acid IUPAC Name: 3-hexoxycarbonyl-3-sulfopentanoic acid Traditional Name: 3-hexoxycarbonyl-3-sulfo-valeric acid Formula: C12H22O7S MolecularWeight: 310.36388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC)(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCOC(=O)C(CC)(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H22O7S/c1-3-5-6-7-8-19-11(15)12(4-2,9-10(13)14)20(16,17)18/h3-9H2,1-2H3,(H,13,14)(H,16,17,18)