cyclohexylmethyl-(2-oxidanylidenecyclohexyl)sulfanium; methanetetrasulfonate

Systemtic Name: cyclohexylmethyl-(2-oxidanylidenecyclohexyl)sulfanium; methanetetrasulfonate Openeye Name: cyclohexylmethyl-(2-oxocyclohexyl)sulfonium; methanetetrasulfonate CAS Name: cyclohexylmethyl-(2-oxocyclohexyl)sulfonium; methanetetrasulfonate IUPAC Name: cyclohexylmethyl-(2-oxocyclohexyl)sulfanium; methanetetrasulfonate Traditional Name: cyclohexylmethyl-(2-ketocyclohexyl)sulfonium; methanetetrasulfonate Formula: C53H92O16S8 MolecularWeight: 1241.80798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[SH+]C2CCCCC2=O.C1CCC(CC1)C[SH+]C2CCCCC2=O.C1CCC(CC1)C[SH+]C2CCCCC2=O.C1CCC(CC1)C[SH+]C2CCCCC2=O.C(S(=O)(=O)[O-])(S(=O)(=O)[O-])(S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C[SH+]C2CCCCC2=O.C1CCC(CC1)C[SH+]C2CCCCC2=O.C1CCC(CC1)C[SH+]C2CCCCC2=O.C1CCC(CC1)C[SH+]C2CCCCC2=O.C(S(=O)(=O)[O-])(S(=O)(=O)[O-])(S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/4C13H22OS.CH4O12S4/c4*14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;2-14(3,4)1(15(5,6)7,16(8,9)10)17(11,12)13/h4*11,13H,1-10H2;(H,2,3,4)(H,5,6,7)(H,8,9,10)(H,11,12,13)