cyclopentane; dibenzothiophene-4-thiolate; titanium(4+)

Systemtic Name: cyclopentane; dibenzothiophene-4-thiolate; titanium(4+) Openeye Name: cyclopentane; dibenzothiophene-4-thiolate; titanium(4+) CAS Name: cyclopentane; 4-dibenzothiophenethiolate; titanium(4+) IUPAC Name: cyclopentane; dibenzothiophene-4-thiolate; titanium(4+) Traditional Name: cyclopentane; dibenzothiophene-4-thiolate; titanium(4+) Formula: C34H24S4Ti+2 MolecularWeight: 608.68136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)[S-].C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)[S-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+4]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)[S-].C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)[S-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+4]

InChI

InChI=1S/2C12H8S2.2C5H5.Ti/c2*13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;2*1-2-4-5-3-1;/h2*1-7,13H;2*1-5H;/q;;;;+4/p-2