2-chloranyl-3-(2-chlorophenyl)propanoate; titanium(3+)

Systemtic Name: 2-chloranyl-3-(2-chlorophenyl)propanoate; titanium(3+) Openeye Name: 2-chloro-3-(2-chlorophenyl)propanoate; titanium(3+) CAS Name: 2-chloro-3-(2-chlorophenyl)propanoate; titanium(3+) IUPAC Name: 2-chloro-3-(2-chlorophenyl)propanoate; titanium(3+) Traditional Name: 2-chloro-3-(2-chlorophenyl)propionate; titanium(3+) Formula: C27H21Cl6O6Ti MolecularWeight: 702.03704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(C(=O)[O-])Cl)Cl.C1=CC=C(C(=C1)CC(C(=O)[O-])Cl)Cl.C1=CC=C(C(=C1)CC(C(=O)[O-])Cl)Cl.[Ti+3]

Isomeric SMILES

C1=CC=C(C(=C1)CC(C(=O)[O-])Cl)Cl.C1=CC=C(C(=C1)CC(C(=O)[O-])Cl)Cl.C1=CC=C(C(=C1)CC(C(=O)[O-])Cl)Cl.[Ti+3]

InChI

InChI=1S/3C9H8Cl2O2.Ti/c3*10-7-4-2-1-3-6(7)5-8(11)9(12)13;/h3*1-4,8H,5H2,(H,12,13);/q;;;+3/p-3