sodium 1-oxidanylidene-4-phenyl-isochromene-3-carboxylate

Systemtic Name: sodium 1-oxidanylidene-4-phenyl-isochromene-3-carboxylate Openeye Name: sodium 1-oxo-4-phenyl-isochromene-3-carboxylate CAS Name: sodium 1-oxo-4-phenyl-2-benzopyran-3-carboxylate IUPAC Name: sodium 1-oxo-4-phenylisochromene-3-carboxylate Traditional Name: sodium 1-keto-4-phenyl-isochromene-3-carboxylate Formula: C16H9NaO4 MolecularWeight: 288.23003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H10O4.Na/c17-15(18)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16(19)20-14;/h1-9H,(H,17,18);/q;+1/p-1