[4-[(6-ethylsulfonyl-5H-purin-8-yl)diazenyl]phenyl]arsonic acid

Systemtic Name: [4-[(6-ethylsulfonyl-5H-purin-8-yl)diazenyl]phenyl]arsonic acid Openeye Name: [4-[(6-ethylsulfonyl-5H-purin-8-yl)azo]phenyl]arsonic acid CAS Name: [4-[(6-ethylsulfonyl-5H-purin-8-yl)azo]phenyl]arsonic acid IUPAC Name: [4-[(6-ethylsulfonyl-5H-purin-8-yl)diazenyl]phenyl]arsonic acid Traditional Name: [4-[(6-esyl-5H-purin-8-yl)azo]phenyl]arsonic acid Formula: C13H13AsN6O5S MolecularWeight: 440.26612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=NC2=NC(=NC21)N=NC3=CC=C(C=C3)[As](=O)(O)O

Isomeric SMILES

CCS(=O)(=O)C1=NC=NC2=NC(=NC21)N=NC3=CC=C(C=C3)[As](=O)(O)O

InChI

InChI=1S/C13H13AsN6O5S/c1-2-26(24,25)12-10-11(15-7-16-12)18-13(17-10)20-19-9-5-3-8(4-6-9)14(21,22)23/h3-7,10H,2H2,1H3,(H2,21,22,23)