aluminum 2-chloranylbenzenesulfonate

Systemtic Name: aluminum 2-chloranylbenzenesulfonate Openeye Name: aluminum 2-chlorobenzenesulfonate CAS Name: aluminum 2-chlorobenzenesulfonate IUPAC Name: aluminum 2-chlorobenzenesulfonate Traditional Name: aluminum 2-chlorobesylate Formula: C18H12AlCl3O9S3 MolecularWeight: 601.818018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)S(=O)(=O)[O-])Cl.C1=CC=C(C(=C1)S(=O)(=O)[O-])Cl.C1=CC=C(C(=C1)S(=O)(=O)[O-])Cl.[Al+3]

Isomeric SMILES

C1=CC=C(C(=C1)S(=O)(=O)[O-])Cl.C1=CC=C(C(=C1)S(=O)(=O)[O-])Cl.C1=CC=C(C(=C1)S(=O)(=O)[O-])Cl.[Al+3]

InChI

InChI=1S/3C6H5ClO3S.Al/c3*7-5-3-1-2-4-6(5)11(8,9)10;/h3*1-4H,(H,8,9,10);/q;;;+3/p-3