3,4-diethylhexan-3-ylphosphanium; 2-methylidene-3-sulfo-butanoate

Systemtic Name: 3,4-diethylhexan-3-ylphosphanium; 2-methylidene-3-sulfo-butanoate Openeye Name: 2-methylene-3-sulfo-butanoate; 1,1,2-triethylbutylphosphonium CAS Name: 3,4-diethylhexan-3-ylphosphonium; 2-methylene-3-sulfobutanoate IUPAC Name: 3,4-diethylhexan-3-ylphosphanium; 2-methylidene-3-sulfobutanoate Traditional Name: 2-(1-sulfoethyl)acrylate; 1,1,2-triethylbutylphosphonium Formula: C15H31O5PS MolecularWeight: 354.442401

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CC)(CC)[PH3+].CC(C(=C)C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCC(CC)C(CC)(CC)[PH3+].CC(C(=C)C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C10H23P.C5H8O5S/c1-5-9(6-2)10(11,7-3)8-4;1-3(5(6)7)4(2)11(8,9)10/h9H,5-8,11H2,1-4H3;4H,1H2,2H3,(H,6,7)(H,8,9,10)