5-butylnonan-5-ylphosphanium; (E)-2-methyl-4-sulfo-pent-2-enoate

Systemtic Name: 5-butylnonan-5-ylphosphanium; (E)-2-methyl-4-sulfo-pent-2-enoate Openeye Name: 1,1-dibutylpentylphosphonium; (E)-2-methyl-4-sulfo-pent-2-enoate CAS Name: 5-butylnonan-5-ylphosphonium; (E)-2-methyl-4-sulfo-2-pentenoate IUPAC Name: 5-butylnonan-5-ylphosphanium; (E)-2-methyl-4-sulfopent-2-enoate Traditional Name: 1,1-dibutylpentylphosphonium; (E)-2-methyl-4-sulfo-pent-2-enoate Formula: C19H39O5PS MolecularWeight: 410.548721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(CCCC)(CCCC)[PH3+].CC(/C=C(\C)/C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C13H29P.C6H10O5S/c1-4-7-10-13(14,11-8-5-2)12-9-6-3;1-4(6(7)8)3-5(2)12(9,10)11/h4-12,14H2,1-3H3;3,5H,1-2H3,(H,7,8)(H,9,10,11)/b;4-3+