sodium 2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]benzimidazole-1-sulfonate

Systemtic Name: sodium 2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]benzimidazole-1-sulfonate Openeye Name: sodium 2-[7-(diethylamino)-2-oxo-chromen-3-yl]benzimidazole-1-sulfonate CAS Name: sodium 2-[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]-1-benzimidazolesulfonate IUPAC Name: sodium 2-[7-(diethylamino)-2-oxochromen-3-yl]benzimidazole-1-sulfonate Traditional Name: sodium 2-[7-(diethylamino)-2-keto-chromen-3-yl]benzimidazole-1-sulfonate Formula: C20H18N3NaO5S MolecularWeight: 435.42879

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H19N3O5S.Na/c1-3-22(4-2)14-10-9-13-11-15(20(24)28-18(13)12-14)19-21-16-7-5-6-8-17(16)23(19)29(25,26)27;/h5-12H,3-4H2,1-2H3,(H,25,26,27);/q;+1/p-1