sodium 1-[(E)-but-2-enoyl]oxypropane-1-sulfonate

Systemtic Name: sodium 1-[(E)-but-2-enoyl]oxypropane-1-sulfonate Openeye Name: sodium 1-[(E)-but-2-enoyl]oxypropane-1-sulfonate CAS Name: sodium 1-[(E)-1-oxobut-2-enoxy]-1-propanesulfonate IUPAC Name: sodium 1-[(E)-but-2-enoyl]oxypropane-1-sulfonate Traditional Name: sodium 1-[(E)-but-2-enoyl]oxypropane-1-sulfonate Formula: C7H11NaO5S MolecularWeight: 230.21401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(OC(=O)/C=C/C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C7H12O5S.Na/c1-3-5-6(8)12-7(4-2)13(9,10)11;/h3,5,7H,4H2,1-2H3,(H,9,10,11);/q;+1/p-1/b5-3+;