aminomethyl 2-(4-bromophenyl)ethanoate; 4-methylbenzenesulfonic acid

Systemtic Name: aminomethyl 2-(4-bromophenyl)ethanoate; 4-methylbenzenesulfonic acid Openeye Name: aminomethyl 2-(4-bromophenyl)acetate; 4-methylbenzenesulfonic acid CAS Name: 2-(4-bromophenyl)acetic acid aminomethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: aminomethyl 2-(4-bromophenyl)acetate; 4-methylbenzenesulfonic acid Traditional Name: 2-(4-bromophenyl)acetic acid aminomethyl ester; tosylic acid Formula: C16H18BrNO5S MolecularWeight: 416.28682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1CC(=O)OCN)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1CC(=O)OCN)Br

InChI

InChI=1S/C9H10BrNO2.C7H8O3S/c10-8-3-1-7(2-4-8)5-9(12)13-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H,5-6,11H2;2-5H,1H3,(H,8,9,10)