sodium 6-azanyl-2-(4-methylphenyl)-5-oxidanidylperoxysulfanyl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: sodium 6-azanyl-2-(4-methylphenyl)-5-oxidanidylperoxysulfanyl-benzo[de]isoquinoline-1,3-dione Openeye Name: sodium 6-amino-5-oxidoperoxysulfanyl-2-(p-tolyl)benzo[de]isoquinoline-1,3-dione CAS Name: sodium 6-amino-2-(4-methylphenyl)-1,3-dioxo-5-benzo[de]isoquinolinesulfenic acid oxidooxy ester IUPAC Name: sodium 6-amino-2-(4-methylphenyl)-5-oxidoperoxysulfanylbenzo[de]isoquinoline-1,3-dione Traditional Name: sodium 6-amino-5-(oxidoperoxythio)-2-(p-tolyl)benzo[de]isoquinoline-1,3-quinone Formula: C19H13N2NaO5S MolecularWeight: 404.37169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N)SOO[O-])C2=O.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N)SOO[O-])C2=O.[Na+]

InChI

InChI=1S/C19H14N2O5S.Na/c1-10-5-7-11(8-6-10)21-18(22)13-4-2-3-12-16(13)14(19(21)23)9-15(17(12)20)27-26-25-24;/h2-9,24H,20H2,1H3;/q;+1/p-1