2-(2-azanylethylamino)ethanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 2-(2-azanylethylamino)ethanoic acid; 4-methylbenzenesulfonic acid Openeye Name: 2-(2-aminoethylamino)acetic acid; 4-methylbenzenesulfonic acid CAS Name: 2-(2-aminoethylamino)acetic acid; 4-methylbenzenesulfonic acid IUPAC Name: 2-(2-aminoethylamino)acetic acid; 4-methylbenzenesulfonic acid Traditional Name: 2-(2-aminoethylamino)acetic acid; tosylic acid Formula: C18H26N2O8S2 MolecularWeight: 462.53764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8O3S.C4H10N2O2/c2*1-6-2-4-7(5-3-6)11(8,9)10;5-1-2-6-3-4(7)8/h2*2-5H,1H3,(H,8,9,10);6H,1-3,5H2,(H,7,8)