3-[(3-methylsulfanyloxyphenyl)sulfonylamino]benzenesulfonic acid

Systemtic Name: 3-[(3-methylsulfanyloxyphenyl)sulfonylamino]benzenesulfonic acid Openeye Name: 3-[(3-methylsulfanyloxyphenyl)sulfonylamino]benzenesulfonic acid CAS Name: 3-[[3-(methylthio)oxyphenyl]sulfonylamino]benzenesulfonic acid IUPAC Name: 3-[(3-methylsulfanyloxyphenyl)sulfonylamino]benzenesulfonic acid Traditional Name: 3-[[3-(methylthio)oxyphenyl]sulfonylamino]besylic acid Formula: C13H13NO6S3 MolecularWeight: 375.44042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSOC1=CC(=CC=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CSOC1=CC(=CC=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C13H13NO6S3/c1-21-20-11-5-3-6-12(9-11)22(15,16)14-10-4-2-7-13(8-10)23(17,18)19/h2-9,14H,1H3,(H,17,18,19)