sodium 5-[6-azanyl-5-oxidanidylperoxysulfanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name: sodium 5-[6-azanyl-5-oxidanidylperoxysulfanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2-oxidanyl-benzoic acid Openeye Name: sodium 5-(6-amino-5-oxidoperoxysulfanyl-1,3-dioxo-benzo[de]isoquinolin-2-yl)-2-hydroxy-benzoic acid CAS Name: sodium 5-[6-amino-5-(oxidodioxythio)-1,3-dioxo-2-benzo[de]isoquinolinyl]-2-hydroxybenzoic acid IUPAC Name: sodium 5-(6-amino-5-oxidoperoxysulfanyl-1,3-dioxobenzo[de]isoquinolin-2-yl)-2-hydroxybenzoic acid Traditional Name: sodium 5-[6-amino-1,3-diketo-5-(oxidoperoxythio)benzo[de]isoquinolin-2-yl]-2-hydroxy-benzoic acid Formula: C19H11N2NaO8S MolecularWeight: 450.35401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2N)SOO[O-])C4=CC(=C(C=C4)O)C(=O)O.[Na+]

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2N)SOO[O-])C4=CC(=C(C=C4)O)C(=O)O.[Na+]

InChI

InChI=1S/C19H12N2O8S.Na/c20-16-9-2-1-3-10-15(9)12(7-14(16)30-29-28-27)18(24)21(17(10)23)8-4-5-13(22)11(6-8)19(25)26;/h1-7,22,27H,20H2,(H,25,26);/q;+1/p-1