4-methylbenzenesulfonic acid; (4-nitrophenyl)methyl 2-azanylethanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (4-nitrophenyl)methyl 2-azanylethanoate Openeye Name: 4-methylbenzenesulfonic acid; (4-nitrophenyl)methyl 2-aminoacetate CAS Name: 2-aminoacetic acid (4-nitrophenyl)methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; (4-nitrophenyl)methyl 2-aminoacetate Traditional Name: 2-aminoacetic acid (4-nitrobenzyl) ester; tosylic acid Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1COC(=O)CN)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1COC(=O)CN)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O4.C7H8O3S/c10-5-9(12)15-6-7-1-3-8(4-2-7)11(13)14;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H,5-6,10H2;2-5H,1H3,(H,8,9,10)