sodium 2-[1,3-bis(oxidanylidene)-6-phenylsulfanyl-benzo[de]isoquinolin-2-yl]ethanoate

Systemtic Name: sodium 2-[1,3-bis(oxidanylidene)-6-phenylsulfanyl-benzo[de]isoquinolin-2-yl]ethanoate Openeye Name: sodium 2-(1,3-dioxo-6-phenylsulfanyl-benzo[de]isoquinolin-2-yl)acetate CAS Name: sodium 2-[1,3-dioxo-6-(phenylthio)-2-benzo[de]isoquinolinyl]acetate IUPAC Name: sodium 2-(1,3-dioxo-6-phenylsulfanylbenzo[de]isoquinolin-2-yl)acetate Traditional Name: sodium 2-[1,3-diketo-6-(phenylthio)benzo[de]isoquinolin-2-yl]acetate Formula: C20H12NNaO4S MolecularWeight: 385.36835

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CC(=O)[O-].[Na+]

InChI

InChI=1S/C20H13NO4S.Na/c22-17(23)11-21-19(24)14-8-4-7-13-16(26-12-5-2-1-3-6-12)10-9-15(18(13)14)20(21)25;/h1-10H,11H2,(H,22,23);/q;+1/p-1