cyclopentane; diethyl 3-methanidyl-4-(phenylmethylidene)cyclopentane-1,1-dicarboxylate; titanium(2+)

Systemtic Name: cyclopentane; diethyl 3-methanidyl-4-(phenylmethylidene)cyclopentane-1,1-dicarboxylate; titanium(2+) Openeye Name: cyclopentane; diethyl 3-methanidyl-4-(phenylmethylene)cyclopentane-1,1-dicarboxylate; titanium(2+) CAS Name: cyclopentane; 3-methanidyl-4-(phenylmethylidene)cyclopentane-1,1-dicarboxylic acid diethyl ester; titanium(2+) IUPAC Name: cyclopentane; diethyl 3-methanidyl-4-(phenylmethylidene)cyclopentane-1,1-dicarboxylate; titanium(2+) Traditional Name: cyclopentane; 3-methanidyl-4-(phenylmethylene)cyclopentane-1,1-dicarboxylic acid diethyl ester; titanium(2+) Formula: C29H32O4Ti MolecularWeight: 492.42898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(C(=[C-]C2=CC=CC=C2)C1)[CH2-])C(=O)OCC.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+2]

Isomeric SMILES

CCOC(=O)C1(CC(C(=[C-]C2=CC=CC=C2)C1)[CH2-])C(=O)OCC.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+2]

InChI

InChI=1S/C19H22O4.2C5H5.Ti/c1-4-22-17(20)19(18(21)23-5-2)12-14(3)16(13-19)11-15-9-7-6-8-10-15;2*1-2-4-5-3-1;/h6-10,14H,3-5,12-13H2,1-2H3;2*1-5H;/q-2;;;+2