cyclopentane; titanium(4+); 2-(2,4,6-trimethylphenyl)sulfanylethanoate

Systemtic Name: cyclopentane; titanium(4+); 2-(2,4,6-trimethylphenyl)sulfanylethanoate Openeye Name: cyclopentane; titanium(4+); 2-(2,4,6-trimethylphenyl)sulfanylacetate CAS Name: cyclopentane; titanium(4+); 2-[(2,4,6-trimethylphenyl)thio]acetate IUPAC Name: cyclopentane; titanium(4+); 2-(2,4,6-trimethylphenyl)sulfanylacetate Traditional Name: cyclopentane; 2-(mesitylthio)acetate; titanium(4+) Formula: C32H36O4S2Ti+2 MolecularWeight: 596.62284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCC(=O)[O-])C.CC1=CC(=C(C(=C1)C)SCC(=O)[O-])C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+4]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCC(=O)[O-])C.CC1=CC(=C(C(=C1)C)SCC(=O)[O-])C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+4]

InChI

InChI=1S/2C11H14O2S.2C5H5.Ti/c2*1-7-4-8(2)11(9(3)5-7)14-6-10(12)13;2*1-2-4-5-3-1;/h2*4-5H,6H2,1-3H3,(H,12,13);2*1-5H;/q;;;;+4/p-2