4-octan-2-yloxy-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-octan-2-yloxy-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-(1-methylheptoxy)-4-oxo-3-sulfo-butanoic acid CAS Name: 4-octan-2-yloxy-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-octan-2-yloxy-4-oxo-3-sulfobutanoic acid Traditional Name: 4-keto-4-(1-methylheptoxy)-3-sulfo-butyric acid Formula: C12H22O7S MolecularWeight: 310.36388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O7S/c1-3-4-5-6-7-9(2)19-12(15)10(8-11(13)14)20(16,17)18/h9-10H,3-8H2,1-2H3,(H,13,14)(H,16,17,18)