N-methylpropan-2-amine; 2-oxidanylpropyl 4-methylbenzenesulfonate

Systemtic Name: N-methylpropan-2-amine; 2-oxidanylpropyl 4-methylbenzenesulfonate Openeye Name: 2-hydroxypropyl 4-methylbenzenesulfonate; N-methylpropan-2-amine CAS Name: 4-methylbenzenesulfonic acid 2-hydroxypropyl ester; N-methyl-2-propanamine IUPAC Name: 2-hydroxypropyl 4-methylbenzenesulfonate; N-methylpropan-2-amine Traditional Name: isopropyl(methyl)amine; 4-methylbenzenesulfonic acid 2-hydroxypropyl ester Formula: C14H25NO4S MolecularWeight: 303.4176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O4S.C4H11N/c1-8-3-5-10(6-4-8)15(12,13)14-7-9(2)11;1-4(2)5-3/h3-6,9,11H,7H2,1-2H3;4-5H,1-3H3