sodium; 2-methylideneheptanoic acid; 3-prop-2-enoyloxybutane-1-sulfonate

Systemtic Name: sodium; 2-methylideneheptanoic acid; 3-prop-2-enoyloxybutane-1-sulfonate Openeye Name: sodium; 2-methyleneheptanoic acid; 3-prop-2-enoyloxybutane-1-sulfonate CAS Name: sodium; 2-methyleneheptanoic acid; 3-(1-oxoprop-2-enoxy)-1-butanesulfonate IUPAC Name: sodium; 2-methylideneheptanoic acid; 3-prop-2-enoyloxybutane-1-sulfonate Traditional Name: sodium; 3-acryloyloxybutane-1-sulfonate; 2-amylacrylic acid Formula: C15H25NaO7S MolecularWeight: 372.40957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14O2.C7H12O5S.Na/c1-3-4-5-6-7(2)8(9)10;1-3-7(8)12-6(2)4-5-13(9,10)11;/h2-6H2,1H3,(H,9,10);3,6H,1,4-5H2,2H3,(H,9,10,11);/q;;+1/p-1