2-azanyl-2-ethyl-propane-1,3-diol; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanyl-2-ethyl-propane-1,3-diol; 4-methylbenzenesulfonic acid Openeye Name: 2-amino-2-ethyl-propane-1,3-diol; 4-methylbenzenesulfonic acid CAS Name: 2-amino-2-ethylpropane-1,3-diol; 4-methylbenzenesulfonic acid IUPAC Name: 2-amino-2-ethylpropane-1,3-diol; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-2-ethyl-propane-1,3-diol; tosylic acid Formula: C12H21NO5S MolecularWeight: 291.36384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC(CO)(CO)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C7H8O3S.C5H13NO2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-5(6,3-7)4-8/h2-5H,1H3,(H,8,9,10);7-8H,2-4,6H2,1H3