6-methyl-1-[6-methylheptyl(sulfanidylcarbothioyl)amino]-2-oxidanylidene-heptane-1-sulfonate; molybdenum

Systemtic Name: 6-methyl-1-[6-methylheptyl(sulfanidylcarbothioyl)amino]-2-oxidanylidene-heptane-1-sulfonate; molybdenum Openeye Name: 6-methyl-1-[6-methylheptyl(sulfidocarbothioyl)amino]-2-oxo-heptane-1-sulfonate; molybdenum CAS Name: 6-methyl-1-[6-methylheptyl-[sulfanylidene(sulfido)methyl]amino]-2-oxo-1-heptanesulfonate; molybdenum IUPAC Name: 6-methyl-1-[6-methylheptyl(sulfidocarbothioyl)amino]-2-oxoheptane-1-sulfonate; molybdenum Traditional Name: 2-keto-6-methyl-1-[6-methylheptyl(sulfidocarbothioyl)amino]heptane-1-sulfonate; molybdenum Formula: C51H93MoN3O12S9-6 MolecularWeight: 1324.82202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCN(C(C(=O)CCCC(C)C)S(=O)(=O)[O-])C(=S)[S-].CC(C)CCCCCN(C(C(=O)CCCC(C)C)S(=O)(=O)[O-])C(=S)[S-].CC(C)CCCCCN(C(C(=O)CCCC(C)C)S(=O)(=O)[O-])C(=S)[S-].[Mo]

Isomeric SMILES

CC(C)CCCCCN(C(C(=O)CCCC(C)C)S(=O)(=O)[O-])C(=S)[S-].CC(C)CCCCCN(C(C(=O)CCCC(C)C)S(=O)(=O)[O-])C(=S)[S-].CC(C)CCCCCN(C(C(=O)CCCC(C)C)S(=O)(=O)[O-])C(=S)[S-].[Mo]

InChI

InChI=1S/3C17H33NO4S3.Mo/c3*1-13(2)9-6-5-7-12-18(17(23)24)16(25(20,21)22)15(19)11-8-10-14(3)4;/h3*13-14,16H,5-12H2,1-4H3,(H,23,24)(H,20,21,22);/p-6