sodium 3-methyl-6-[(4-methyl-2-oxidanidylperoxysulfanyl-phenyl)amino]benzo[e]perimidine-2,7-dione

Systemtic Name: sodium 3-methyl-6-[(4-methyl-2-oxidanidylperoxysulfanyl-phenyl)amino]benzo[e]perimidine-2,7-dione Openeye Name: sodium 3-methyl-6-(4-methyl-2-oxidoperoxysulfanyl-anilino)benzo[e]perimidine-2,7-dione CAS Name: sodium 5-methyl-2-[(3-methyl-2,7-dioxo-6-benzo[e]perimidinyl)amino]benzenesulfenic acid oxidooxy ester IUPAC Name: sodium 3-methyl-6-(4-methyl-2-oxidoperoxysulfanylanilino)benzo[e]perimidine-2,7-dione Traditional Name: sodium 3-methyl-6-[4-methyl-2-(oxidoperoxythio)anilino]benzo[e]perimidine-2,7-quinone Formula: C23H16N3NaO5S MolecularWeight: 469.44501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C4=C(C=C2)N(C(=O)N=C4C5=CC=CC=C5C3=O)C)SOO[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C4=C(C=C2)N(C(=O)N=C4C5=CC=CC=C5C3=O)C)SOO[O-].[Na+]

InChI

InChI=1S/C23H17N3O5S.Na/c1-12-7-8-15(18(11-12)32-31-30-29)24-16-9-10-17-20-19(16)22(27)14-6-4-3-5-13(14)21(20)25-23(28)26(17)2;/h3-11,24,29H,1-2H3;/q;+1/p-1