4-methylbenzenesulfonic acid; 4-methyl-N-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]benzenesulfonamide

Systemtic Name: 4-methylbenzenesulfonic acid; 4-methyl-N-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]benzenesulfonamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]-4-methyl-benzenesulfonamide; 4-methylbenzenesulfonic acid CAS Name: N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide; 4-methylbenzenesulfonic acid Traditional Name: N-(2-hydroxy-1-methyl-1-methylol-ethyl)-4-methyl-benzenesulfonamide; tosylic acid Formula: C25H33NO10S3 MolecularWeight: 603.72522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)(CO)CO.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)(CO)CO.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H17NO4S.2C7H8O3S/c1-9-3-5-10(6-4-9)17(15,16)12-11(2,7-13)8-14;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-6,12-14H,7-8H2,1-2H3;2*2-5H,1H3,(H,8,9,10)