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

Systemtic Name: cyclopentane; 4-methylbenzenesulfonate; molybdenum(3+); dihydrate Openeye Name: cyclopentane; 4-methylbenzenesulfonate; molybdenum(3+); dihydrate CAS Name: cyclopentane; 4-methylbenzenesulfonate; molybdenum(3+); dihydrate IUPAC Name: cyclopentane; 4-methylbenzenesulfonate; molybdenum(3+); dihydrate Traditional Name: cyclopentane; molybdenum(3+); ditosylate; dihydrate Formula: C34H38Mo2O8S2+4 MolecularWeight: 830.67072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8O3S.4C5H5.2Mo.2H2O/c2*1-6-2-4-7(5-3-6)11(8,9)10;4*1-2-4-5-3-1;;;;/h2*2-5H,1H3,(H,8,9,10);4*1-5H;;;2*1H2/q;;;;;;2*+3;;/p-2