4-methylbenzenesulfonate; methylcyclopentane; molybdenum(3+); dihydrate

Systemtic Name: 4-methylbenzenesulfonate; methylcyclopentane; molybdenum(3+); dihydrate Openeye Name: 4-methylbenzenesulfonate; methylcyclopentane; molybdenum(3+); dihydrate CAS Name: 4-methylbenzenesulfonate; methylcyclopentane; molybdenum(3+); dihydrate IUPAC Name: 4-methylbenzenesulfonate; methylcyclopentane; molybdenum(3+); dihydrate Traditional Name: methylcyclopentane; molybdenum(3+); tosylate; dihydrate Formula: C19H25MoO5S+2 MolecularWeight: 461.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[C]1[CH][CH][CH][CH]1.C[C]1[CH][CH][CH][CH]1.O.O.[Mo+3]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[C]1[CH][CH][CH][CH]1.C[C]1[CH][CH][CH][CH]1.O.O.[Mo+3]

InChI

InChI=1S/C7H8O3S.2C6H7.Mo.2H2O/c1-6-2-4-7(5-3-6)11(8,9)10;2*1-6-4-2-3-5-6;;;/h2-5H,1H3,(H,8,9,10);2*2-5H,1H3;;2*1H2/q;;;+3;;/p-1