3-(ethylamino)-4-methyl-benzenesulfonic acid; sodium

Systemtic Name: 3-(ethylamino)-4-methyl-benzenesulfonic acid; sodium Openeye Name: 3-(ethylamino)-4-methyl-benzenesulfonic acid; sodium CAS Name: 3-(ethylamino)-4-methylbenzenesulfonic acid; sodium IUPAC Name: 3-(ethylamino)-4-methylbenzenesulfonic acid; sodium Traditional Name: 3-(ethylamino)-4-methyl-besylic acid; sodium Formula: C9H13NNaO3S MolecularWeight: 238.25919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)S(=O)(=O)O)C.[Na]

Isomeric SMILES

CCNC1=C(C=CC(=C1)S(=O)(=O)O)C.[Na]

InChI

InChI=1S/C9H13NO3S.Na/c1-3-10-9-6-8(14(11,12)13)5-4-7(9)2;/h4-6,10H,3H2,1-2H3,(H,11,12,13);