sodium 4-(3-ethyloctan-3-yloxy)-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: sodium 4-(3-ethyloctan-3-yloxy)-4-oxidanylidene-3-sulfo-butanoate Openeye Name: sodium 4-(1,1-diethylhexoxy)-4-oxo-3-sulfo-butanoate CAS Name: sodium 4-(3-ethyloctan-3-yloxy)-4-oxo-3-sulfobutanoate IUPAC Name: sodium 4-(3-ethyloctan-3-yloxy)-4-oxo-3-sulfobutanoate Traditional Name: sodium 4-(1,1-diethylhexoxy)-4-keto-3-sulfo-butyrate Formula: C14H25NaO7S MolecularWeight: 360.39887

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)(CC)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCC(CC)(CC)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C14H26O7S.Na/c1-4-7-8-9-14(5-2,6-3)21-13(17)11(10-12(15)16)22(18,19)20;/h11H,4-10H2,1-3H3,(H,15,16)(H,18,19,20);/q;+1/p-1