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

Systemtic Name: calcium 6-chloranyl-5-(4-ethenylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: calcium 6-chloro-5-(4-vinylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: calcium 6-chloro-5-[(4-ethenylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylate IUPAC Name: calcium 6-chloro-5-(4-ethenylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: calcium 6-chloro-5-(4-vinylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Formula: C34H26CaCl2N2O6 MolecularWeight: 669.56404

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)[O-])Cl.C=CC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)[O-])Cl.[Ca+2]

Isomeric SMILES

C=CC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)[O-])Cl.C=CC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)[O-])Cl.[Ca+2]

InChI

InChI=1S/2C17H14ClNO3.Ca/c2*1-2-10-3-5-11(6-4-10)16(20)15-13(18)9-14-12(17(21)22)7-8-19(14)15;/h2*2-6,9,12H,1,7-8H2,(H,21,22);/q;;+2/p-2