4-phenyldiazenylbenzenesulfonic acid trihydrate

Systemtic Name: 4-phenyldiazenylbenzenesulfonic acid trihydrate Openeye Name: 4-phenylazobenzenesulfonic acid trihydrate CAS Name: 4-phenyldiazenylbenzenesulfonic acid trihydrate IUPAC Name: 4-phenyldiazenylbenzenesulfonic acid trihydrate Traditional Name: 4-phenylazobesylic acid trihydrate Formula: C12H16N2O6S MolecularWeight: 316.33024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O.O.O.O

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O.O.O.O

InChI

InChI=1S/C12H10N2O3S.3H2O/c15-18(16,17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10;;;/h1-9H,(H,15,16,17);3*1H2