2-methylbenzenesulfonic acid; phenylmethanamine

Systemtic Name: 2-methylbenzenesulfonic acid; phenylmethanamine Openeye Name: 2-methylbenzenesulfonic acid; phenylmethanamine CAS Name: 2-methylbenzenesulfonic acid; phenylmethanamine IUPAC Name: 2-methylbenzenesulfonic acid; phenylmethanamine Traditional Name: benzylamine; 2-methylbesylic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)O.C1=CC=C(C=C1)CN

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)O.C1=CC=C(C=C1)CN

InChI

InChI=1S/C7H9N.C7H8O3S/c8-6-7-4-2-1-3-5-7;1-6-4-2-3-5-7(6)11(8,9)10/h1-5H,6,8H2;2-5H,1H3,(H,8,9,10)