calcium 6-chloranyl-5-(4-chlorophenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: calcium 6-chloranyl-5-(4-chlorophenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: calcium 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: calcium 6-chloro-5-[(4-chlorophenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylate IUPAC Name: calcium 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: calcium 6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Formula: C30H20CaCl4N2O6 MolecularWeight: 686.3796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=CC(=C2C(=O)C3=CC=C(C=C3)Cl)Cl)C1C(=O)[O-].C1CN2C(=CC(=C2C(=O)C3=CC=C(C=C3)Cl)Cl)C1C(=O)[O-].[Ca+2]

Isomeric SMILES

C1CN2C(=CC(=C2C(=O)C3=CC=C(C=C3)Cl)Cl)C1C(=O)[O-].C1CN2C(=CC(=C2C(=O)C3=CC=C(C=C3)Cl)Cl)C1C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C15H11Cl2NO3.Ca/c2*16-9-3-1-8(2-4-9)14(19)13-11(17)7-12-10(15(20)21)5-6-18(12)13;/h2*1-4,7,10H,5-6H2,(H,20,21);/q;;+2/p-2