indium(3+); 4-methylbenzenesulfonate

Systemtic Name: indium(3+); 4-methylbenzenesulfonate Openeye Name: indium(3+); 4-methylbenzenesulfonate CAS Name: indium(3+); 4-methylbenzenesulfonate IUPAC Name: indium(3+); 4-methylbenzenesulfonate Traditional Name: indium(3+) tritosylate Formula: C21H21InO9S3 MolecularWeight: 628.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[In+3]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[In+3]

InChI

InChI=1S/3C7H8O3S.In/c3*1-6-2-4-7(5-3-6)11(8,9)10;/h3*2-5H,1H3,(H,8,9,10);/q;;;+3/p-3