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

Systemtic Name: 2-(2-hydroxyethyl)-4-methyl-benzenesulfonate; pyridin-1-ium Openeye Name: 2-(2-hydroxyethyl)-4-methyl-benzenesulfonate; pyridin-1-ium CAS Name: 2-(2-hydroxyethyl)-4-methylbenzenesulfonate; pyridin-1-ium IUPAC Name: 2-(2-hydroxyethyl)-4-methylbenzenesulfonate; pyridin-1-ium Traditional Name: 2-(2-hydroxyethyl)-4-methyl-besylate; pyridin-1-ium Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O4S.C5H5N/c1-7-2-3-9(14(11,12)13)8(6-7)4-5-10;1-2-4-6-5-3-1/h2-3,6,10H,4-5H2,1H3,(H,11,12,13);1-5H