6-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-6-propan-2-ylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride

Systemtic Name: 6-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-6-propan-2-ylsulfanyl-cyclohexa-1,3-diene; titanium(2+); dichloride Openeye Name: 6-(cyclopenta-1,4-dien-1-ylmethyl)-6-isopropylsulfanyl-1-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride CAS Name: 6-(1-cyclopenta-1,4-dienylmethyl)-1-methyl-6-(propan-2-ylthio)cyclohexa-1,3-diene; titanium(2+); dichloride IUPAC Name: 6-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-6-propan-2-ylsulfanylcyclohexa-1,3-diene; titanium(2+); dichloride Traditional Name: 6-(cyclopenta-1,4-dien-1-ylmethyl)-6-(isopropylthio)-1-methyl-cyclohexa-1,3-diene; titanium(2+); dichloride Formula: C32H42Cl2S2Ti2 MolecularWeight: 657.44588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CCC1(CC2=[C-]CC=C2)SC(C)C.CC1=CC=CCC1(CC2=[C-]CC=C2)SC(C)C.[Cl-].[Cl-].[Ti+2].[Ti+2]

Isomeric SMILES

CC1=CC=CCC1(CC2=[C-]CC=C2)SC(C)C.CC1=CC=CCC1(CC2=[C-]CC=C2)SC(C)C.[Cl-].[Cl-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C16H21S.2ClH.2Ti/c2*1-13(2)17-16(11-7-6-8-14(16)3)12-15-9-4-5-10-15;;;;/h2*4,6-9,13H,5,11-12H2,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2