4-(3-ethylheptan-3-yloxy)-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-(3-ethylheptan-3-yloxy)-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-(1,1-diethylpentoxy)-4-oxo-3-sulfo-butanoic acid CAS Name: 4-(3-ethylheptan-3-yloxy)-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-(3-ethylheptan-3-yloxy)-4-oxo-3-sulfobutanoic acid Traditional Name: 4-(1,1-diethylpentoxy)-4-keto-3-sulfo-butyric acid Formula: C13H24O7S MolecularWeight: 324.39046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24O7S/c1-4-7-8-13(5-2,6-3)20-12(16)10(9-11(14)15)21(17,18)19/h10H,4-9H2,1-3H3,(H,14,15)(H,17,18,19)