2-azanylbutane-1,3-diol; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanylbutane-1,3-diol; 4-methylbenzenesulfonic acid Openeye Name: 2-aminobutane-1,3-diol; 4-methylbenzenesulfonic acid CAS Name: 2-aminobutane-1,3-diol; 4-methylbenzenesulfonic acid IUPAC Name: 2-aminobutane-1,3-diol; 4-methylbenzenesulfonic acid Traditional Name: 2-aminobutane-1,3-diol; tosylic acid Formula: C11H19NO5S MolecularWeight: 277.33726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C4H11NO2/c1-6-2-4-7(5-3-6)11(8,9)10;1-3(7)4(5)2-6/h2-5H,1H3,(H,8,9,10);3-4,6-7H,2,5H2,1H3