biphenylen-2-yliodanium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate

Systemtic Name: biphenylen-2-yliodanium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: biphenylen-2-yliodonium; (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate CAS Name: 2-biphenylenyliodonium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate IUPAC Name: biphenylen-2-yliodanium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate Traditional Name: biphenylen-2-yliodonium; (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonate Formula: C22H23IO4S MolecularWeight: 510.38509

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.C1=CC=C2C(=C1)C3=C2C=C(C=C3)[IH+]

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.C1=CC=C2C(=C1)C3=C2C=C(C=C3)[IH+]

InChI

InChI=1S/C12H8I.C10H16O4S/c13-8-5-6-11-9-3-1-2-4-10(9)12(11)7-8;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h1-7,13H;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1