2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-thiophene; titanium(4+); dichloride

Systemtic Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-thiophene; titanium(4+); dichloride Openeye Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-thiophene; titanium(4+); dichloride CAS Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methylthiophene; titanium(4+); dichloride IUPAC Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methylthiophene; titanium(4+); dichloride Traditional Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-thiophene; titanium(4+); dichloride Formula: C48H46Cl2S2Ti MolecularWeight: 805.78184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2[C-]=CC3=C(C=CC=C23)C4=CC=C(C=C4)C(C)(C)C.CC1=CC=C(S1)C2[C-]=CC3=C(C=CC=C23)C4=CC=C(C=C4)C(C)(C)C.[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CC1=CC=C(S1)C2[C-]=CC3=C(C=CC=C23)C4=CC=C(C=C4)C(C)(C)C.CC1=CC=C(S1)C2[C-]=CC3=C(C=CC=C23)C4=CC=C(C=C4)C(C)(C)C.[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/2C24H23S.2ClH.Ti/c2*1-16-8-15-23(25-16)22-14-13-21-19(6-5-7-20(21)22)17-9-11-18(12-10-17)24(2,3)4;;;/h2*5-13,15,22H,1-4H3;2*1H;/q2*-1;;;+4/p-2