1,1'-biphenyl; 2-phenylbenzenesulfonate; hydrate

Systemtic Name: 1,1'-biphenyl; 2-phenylbenzenesulfonate; hydrate Openeye Name: biphenyl; 2-phenylbenzenesulfonate; hydrate CAS Name: 1,1'-biphenyl; 2-phenylbenzenesulfonate; hydrate IUPAC Name: 1,1'-biphenyl; 2-phenylbenzenesulfonate; hydrate Traditional Name: biphenyl; 2-phenylbesylate; hydrate Formula: C24H21O4S- MolecularWeight: 405.48614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)[O-].O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)[O-].O

InChI

InChI=1S/C12H10O3S.C12H10.H2O/c13-16(14,15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-9H,(H,13,14,15);1-10H;1H2/p-1