cyclopentane; 2,6-di(propan-2-yl)phenol; sulfanide; titanium; titanium(3+)

Systemtic Name: cyclopentane; 2,6-di(propan-2-yl)phenol; sulfanide; titanium; titanium(3+) Openeye Name: cyclopentane; 2,6-diisopropylphenol; sulfanide; titanium; titanium(3+) CAS Name: cyclopentane; 2,6-di(propan-2-yl)phenol; sulfanide; titanium; titanium(3+) IUPAC Name: cyclopentane; 2,6-di(propan-2-yl)phenol; sulfanide; titanium; titanium(3+) Traditional Name: cyclopentane; 2,6-diisopropylphenol; titanium; titanium(3+); tribisulfide Formula: C51H72O3S3Ti4 MolecularWeight: 1020.77858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)O.CC(C)C1=C(C(=CC=C1)C(C)C)O.CC(C)C1=C(C(=CC=C1)C(C)C)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[SH-].[SH-].[SH-].[Ti].[Ti].[Ti].[Ti+3]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)O.CC(C)C1=C(C(=CC=C1)C(C)C)O.CC(C)C1=C(C(=CC=C1)C(C)C)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[SH-].[SH-].[SH-].[Ti].[Ti].[Ti].[Ti+3]

InChI

InChI=1S/3C12H18O.3C5H5.3H2S.4Ti/c3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*1-2-4-5-3-1;;;;;;;/h3*5-9,13H,1-4H3;3*1-5H;3*1H2;;;;/q;;;;;;;;;;;;+3/p-3