sodium 2-phenyl-3-(phenylcarbonyl)indolizine-6-carboxylate hydrate

Systemtic Name: sodium 2-phenyl-3-(phenylcarbonyl)indolizine-6-carboxylate hydrate Openeye Name: sodium 3-benzoyl-2-phenyl-indolizine-6-carboxylate hydrate CAS Name: sodium 3-benzoyl-2-phenyl-6-indolizinecarboxylate hydrate IUPAC Name: sodium 3-benzoyl-2-phenylindolizine-6-carboxylate hydrate Traditional Name: sodium 3-benzoyl-2-phenyl-indolizine-6-carboxylate hydrate Formula: C22H16NNaO4 MolecularWeight: 381.35651

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N3C=C(C=CC3=C2)C(=O)[O-])C(=O)C4=CC=CC=C4.O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N3C=C(C=CC3=C2)C(=O)[O-])C(=O)C4=CC=CC=C4.O.[Na+]

InChI

InChI=1S/C22H15NO3.Na.H2O/c24-21(16-9-5-2-6-10-16)20-19(15-7-3-1-4-8-15)13-18-12-11-17(22(25)26)14-23(18)20;;/h1-14H,(H,25,26);;1H2/q;+1;/p-1