sodium 4-azanyl-3-(1,3-benzoxazol-2-yl)benzenesulfonate

Systemtic Name: sodium 4-azanyl-3-(1,3-benzoxazol-2-yl)benzenesulfonate Openeye Name: sodium 4-amino-3-(1,3-benzoxazol-2-yl)benzenesulfonate CAS Name: sodium 4-amino-3-(1,3-benzoxazol-2-yl)benzenesulfonate IUPAC Name: sodium 4-amino-3-(1,3-benzoxazol-2-yl)benzenesulfonate Traditional Name: sodium 4-amino-3-(1,3-benzoxazol-2-yl)besylate Formula: C13H9N2NaO4S MolecularWeight: 312.27633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C13H10N2O4S.Na/c14-10-6-5-8(20(16,17)18)7-9(10)13-15-11-3-1-2-4-12(11)19-13;/h1-7H,14H2,(H,16,17,18);/q;+1/p-1