4-methylbenzenesulfonic acid; propan-2-yl N-(3-methyl-1-oxidanyl-butan-2-yl)carbamate

Systemtic Name: 4-methylbenzenesulfonic acid; propan-2-yl N-(3-methyl-1-oxidanyl-butan-2-yl)carbamate Openeye Name: isopropyl N-[1-(hydroxymethyl)-2-methyl-propyl]carbamate; 4-methylbenzenesulfonic acid CAS Name: N-(1-hydroxy-3-methylbutan-2-yl)carbamic acid propan-2-yl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; propan-2-yl N-(1-hydroxy-3-methylbutan-2-yl)carbamate Traditional Name: N-(2-methyl-1-methylol-propyl)carbamic acid isopropyl ester; tosylic acid Formula: C16H27NO6S MolecularWeight: 361.45368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H19NO3.C7H8O3S/c1-6(2)8(5-11)10-9(12)13-7(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h6-8,11H,5H2,1-4H3,(H,10,12);2-5H,1H3,(H,8,9,10)