1,3-bis(oxidanyl)propan-2-yl 4-methylbenzenesulfonate; prop-1-en-2-olate

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl 4-methylbenzenesulfonate; prop-1-en-2-olate Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] 4-methylbenzenesulfonate; prop-1-en-2-olate CAS Name: 4-methylbenzenesulfonic acid 1,3-dihydroxypropan-2-yl ester; 1-propen-2-olate IUPAC Name: 1,3-dihydroxypropan-2-yl 4-methylbenzenesulfonate; prop-1-en-2-olate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-1-methylol-ethyl) ester; prop-1-en-2-olate Formula: C13H19O6S- MolecularWeight: 303.35136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CO)CO.CC(=C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CO)CO.CC(=C)[O-]

InChI

InChI=1S/C10H14O5S.C3H6O/c1-8-2-4-10(5-3-8)16(13,14)15-9(6-11)7-12;1-3(2)4/h2-5,9,11-12H,6-7H2,1H3;4H,1H2,2H3/p-1