4-azanylbenzenethiolate; cyclopenta-1,3-diene; titanium(4+); dihydrochloride

Systemtic Name: 4-azanylbenzenethiolate; cyclopenta-1,3-diene; titanium(4+); dihydrochloride Openeye Name: 4-aminobenzenethiolate; cyclopenta-1,3-diene; titanium(4+); dihydrochloride CAS Name: 4-aminobenzenethiolate; cyclopenta-1,3-diene; titanium(4+); dihydrochloride IUPAC Name: 4-aminobenzenethiolate; cyclopenta-1,3-diene; titanium(4+); dihydrochloride Traditional Name: 4-aminobenzenethiolate; cyclopenta-1,3-diene; titanium(4+); dihydrochloride Formula: C22H24Cl2N2S2Ti MolecularWeight: 499.34236

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC(=CC=C1N)[S-].C1=CC(=CC=C1N)[S-].Cl.Cl.[Ti+4]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC(=CC=C1N)[S-].C1=CC(=CC=C1N)[S-].Cl.Cl.[Ti+4]

InChI

InChI=1S/2C6H7NS.2C5H5.2ClH.Ti/c2*7-5-1-3-6(8)4-2-5;2*1-2-4-5-3-1;;;/h2*1-4,8H,7H2;2*1-5H;2*1H;/q;;2*-1;;;+4/p-2