cyclopentane; 4-pyren-1-ylbutyl 3-cyclopentyl-3-methyl-butanoate; titanium(4+); dichloride

Systemtic Name: cyclopentane; 4-pyren-1-ylbutyl 3-cyclopentyl-3-methyl-butanoate; titanium(4+); dichloride Openeye Name: cyclopentane; 4-pyren-1-ylbutyl 3-cyclopentyl-3-methyl-butanoate; titanium(4+); dichloride CAS Name: cyclopentane; 3-cyclopentyl-3-methylbutanoic acid 4-(1-pyrenyl)butyl ester; titanium(4+); dichloride IUPAC Name: cyclopentane; 4-pyren-1-ylbutyl 3-cyclopentyl-3-methylbutanoate; titanium(4+); dichloride Traditional Name: cyclopentane; 3-cyclopentyl-3-methyl-butyric acid 4-pyren-1-ylbutyl ester; titanium(4+); dichloride Formula: C35H34Cl2O2Ti+2 MolecularWeight: 605.41626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)OCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CC(C)(CC(=O)OCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C30H29O2.C5H5.2ClH.Ti/c1-30(2,25-11-3-4-12-25)20-27(31)32-19-6-5-8-21-13-14-24-16-15-22-9-7-10-23-17-18-26(21)29(24)28(22)23;1-2-4-5-3-1;;;/h3-4,7,9-18H,5-6,8,19-20H2,1-2H3;1-5H;2*1H;/q;;;;+4/p-2