(3,3-dicarboxy-4,4-dimethyl-cyclohexa-1,5-dien-1-yl)-phenyl-iodanium; hydrogen sulfate

Systemtic Name: (3,3-dicarboxy-4,4-dimethyl-cyclohexa-1,5-dien-1-yl)-phenyl-iodanium; hydrogen sulfate Openeye Name: (3,3-dicarboxy-4,4-dimethyl-cyclohexa-1,5-dien-1-yl)-phenyl-iodonium; hydrogen sulfate CAS Name: (3,3-dicarboxy-4,4-dimethyl-1-cyclohexa-1,5-dienyl)-phenyliodonium; hydrogen sulfate IUPAC Name: (3,3-dicarboxy-4,4-dimethylcyclohexa-1,5-dien-1-yl)-phenyliodanium; hydrogen sulfate Traditional Name: (3,3-dicarboxy-4,4-dimethyl-cyclohexa-1,5-dien-1-yl)-phenyl-iodonium bisulfate Formula: C16H17IO8S MolecularWeight: 496.27085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=CC1(C(=O)O)C(=O)O)[I+]C2=CC=CC=C2)C.OS(=O)(=O)[O-]

Isomeric SMILES

CC1(C=CC(=CC1(C(=O)O)C(=O)O)[I+]C2=CC=CC=C2)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C16H15IO4.H2O4S/c1-15(2)9-8-12(17-11-6-4-3-5-7-11)10-16(15,13(18)19)14(20)21;1-5(2,3)4/h3-10H,1-2H3,(H-,18,19,20,21);(H2,1,2,3,4)