1-tert-butyl-3-(3-tert-butyl-5-methyl-benzene-2-id-1-yl)sulfanyl-5-methyl-benzene-2-ide; propan-2-olate; titanium(4+)

Systemtic Name: 1-tert-butyl-3-(3-tert-butyl-5-methyl-benzene-2-id-1-yl)sulfanyl-5-methyl-benzene-2-ide; propan-2-olate; titanium(4+) Openeye Name: 1-tert-butyl-3-(3-tert-butyl-5-methyl-benzene-2-id-1-yl)sulfanyl-5-methyl-benzene-2-ide; propan-2-olate; titanium(4+) CAS Name: 1-tert-butyl-3-[(3-tert-butyl-5-methyl-1-benzene-2-idyl)thio]-5-methylbenzene-2-ide; 2-propanolate; titanium(4+) IUPAC Name: 1-tert-butyl-3-(3-tert-butyl-5-methylbenzene-2-id-1-yl)sulfanyl-5-methylbenzene-2-ide; propan-2-olate; titanium(4+) Traditional Name: 1-tert-butyl-3-[(3-tert-butyl-5-methyl-benzene-2-id-1-yl)thio]-5-methyl-benzene-2-ide; propan-2-olate; titanium(4+) Formula: C28H42O2STi MolecularWeight: 490.56388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[C-]C(=C1)SC2=CC(=CC(=[C-]2)C(C)(C)C)C)C(C)(C)C.CC(C)[O-].CC(C)[O-].[Ti+4]

Isomeric SMILES

CC1=CC(=[C-]C(=C1)SC2=CC(=CC(=[C-]2)C(C)(C)C)C)C(C)(C)C.CC(C)[O-].CC(C)[O-].[Ti+4]

InChI

InChI=1S/C22H28S.2C3H7O.Ti/c1-15-9-17(21(3,4)5)13-19(11-15)23-20-12-16(2)10-18(14-20)22(6,7)8;2*1-3(2)4;/h9-12H,1-8H3;2*3H,1-2H3;/q-2;2*-1;+4