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

Systemtic Name: 4-(3-ethyloctan-4-yloxy)-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-[1-(1-ethylpropyl)pentoxy]-4-oxo-3-sulfo-butanoic acid CAS Name: 4-(3-ethyloctan-4-yloxy)-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-(3-ethyloctan-4-yloxy)-4-oxo-3-sulfobutanoic acid Traditional Name: 4-[1-(1-ethylpropyl)pentoxy]-4-keto-3-sulfo-butyric acid Formula: C14H26O7S MolecularWeight: 338.41704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26O7S/c1-4-7-8-11(10(5-2)6-3)21-14(17)12(9-13(15)16)22(18,19)20/h10-12H,4-9H2,1-3H3,(H,15,16)(H,18,19,20)