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2-(hydroxymethyl)-4-methyl-benzenesulfonate; pyridin-1-ium

2-(hydroxymethyl)-4-methyl-benzenesulfonate; pyridin-1-ium

Systemtic Name:2-(hydroxymethyl)-4-methyl-benzenesulfonate; pyridin-1-ium
Openeye Name:2-(hydroxymethyl)-4-methyl-benzenesulfonate; pyridin-1-ium
CAS Name:2-(hydroxymethyl)-4-methylbenzenesulfonate; pyridin-1-ium
IUPAC Name:2-(hydroxymethyl)-4-methylbenzenesulfonate; pyridin-1-ium
Traditional Name:4-methyl-2-methylol-besylate; pyridin-1-ium
Formula: C13H15NO4S
MolecularWeight: 281.3275
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C8H10O4S.C5H5N/c1-6-2-3-8(13(10,11)12)7(4-6)5-9;1-2-4-6-5-3-1/h2-4,9H,5H2,1H3,(H,10,11,12);1-5H


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