5-azanyl-2-(methylaminomethyl)benzenesulfonic acid

Systemtic Name: 5-azanyl-2-(methylaminomethyl)benzenesulfonic acid Openeye Name: 5-amino-2-(methylaminomethyl)benzenesulfonic acid CAS Name: 5-amino-2-(methylaminomethyl)benzenesulfonic acid IUPAC Name: 5-amino-2-(methylaminomethyl)benzenesulfonic acid Traditional Name: 5-amino-2-(methylaminomethyl)besylic acid Formula: C8H12N2O3S MolecularWeight: 216.25748

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=C(C=C1)N)S(=O)(=O)O

Isomeric SMILES

CNCC1=C(C=C(C=C1)N)S(=O)(=O)O

InChI

InChI=1S/C8H12N2O3S/c1-10-5-6-2-3-7(9)4-8(6)14(11,12)13/h2-4,10H,5,9H2,1H3,(H,11,12,13)