titanium(4+); 2,3,4-tri(propan-2-yl)thiobenzate

Systemtic Name: titanium(4+); 2,3,4-tri(propan-2-yl)thiobenzate Openeye Name: titanium(4+); 2,3,4-triisopropylthiobenzate CAS Name: titanium(4+); 2,3,4-tri(propan-2-yl)thiobenzate IUPAC Name: titanium(4+); 2,3,4-tri(propan-2-yl)thiobenzate Traditional Name: titanium(4+); 2,3,4-triisopropylthiobenzate Formula: C64H92O4S4Ti MolecularWeight: 1101.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(C=C1)C(=S)[O-])C(C)C)C(C)C.CC(C)C1=C(C(=C(C=C1)C(=S)[O-])C(C)C)C(C)C.CC(C)C1=C(C(=C(C=C1)C(=S)[O-])C(C)C)C(C)C.CC(C)C1=C(C(=C(C=C1)C(=S)[O-])C(C)C)C(C)C.[Ti+4]

Isomeric SMILES

CC(C)C1=C(C(=C(C=C1)C(=S)[O-])C(C)C)C(C)C.CC(C)C1=C(C(=C(C=C1)C(=S)[O-])C(C)C)C(C)C.CC(C)C1=C(C(=C(C=C1)C(=S)[O-])C(C)C)C(C)C.CC(C)C1=C(C(=C(C=C1)C(=S)[O-])C(C)C)C(C)C.[Ti+4]

InChI

InChI=1S/4C16H24OS.Ti/c4*1-9(2)12-7-8-13(16(17)18)15(11(5)6)14(12)10(3)4;/h4*7-11H,1-6H3,(H,17,18);/q;;;;+4/p-4