4-methylbenzenesulfonic acid; prop-2-enyl 2-(2-azanylethylamino)ethanoate

Systemtic Name: 4-methylbenzenesulfonic acid; prop-2-enyl 2-(2-azanylethylamino)ethanoate Openeye Name: allyl 2-(2-aminoethylamino)acetate; 4-methylbenzenesulfonic acid CAS Name: 2-(2-aminoethylamino)acetic acid prop-2-enyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; prop-2-enyl 2-(2-aminoethylamino)acetate Traditional Name: 2-(2-aminoethylamino)acetic acid allyl ester; tosylic acid Formula: C21H30N2O8S2 MolecularWeight: 502.6015

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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=CCOC(=O)CNCCN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C=CCOC(=O)CNCCN

InChI

InChI=1S/C7H14N2O2.2C7H8O3S/c1-2-5-11-7(10)6-9-4-3-8;2*1-6-2-4-7(5-3-6)11(8,9)10/h2,9H,1,3-6,8H2;2*2-5H,1H3,(H,8,9,10)