sodium 1-(methylamino)-4-[[4-(2-methylprop-2-enylperoxymethyl)-2-oxidanidylperoxysulfanyl-phenyl]amino]anthracene-9,10-dione

Systemtic Name: sodium 1-(methylamino)-4-[[4-(2-methylprop-2-enylperoxymethyl)-2-oxidanidylperoxysulfanyl-phenyl]amino]anthracene-9,10-dione Openeye Name: sodium 1-[4-(2-methylallylperoxymethyl)-2-oxidoperoxysulfanyl-anilino]-4-(methylamino)anthracene-9,10-dione CAS Name: sodium 2-[[4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]-5-(2-methylprop-2-enyldioxymethyl)benzenesulfenic acid oxidooxy ester IUPAC Name: sodium 1-(methylamino)-4-[4-(2-methylprop-2-enylperoxymethyl)-2-oxidoperoxysulfanylanilino]anthracene-9,10-dione Traditional Name: sodium 1-[4-(2-methylallylperoxymethyl)-2-(oxidoperoxythio)anilino]-4-(methylamino)-9,10-anthraquinone Formula: C26H23N2NaO7S MolecularWeight: 530.52479

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COOCC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC)C(=O)C4=CC=CC=C4C3=O)SOO[O-].[Na+]

Isomeric SMILES

CC(=C)COOCC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC)C(=O)C4=CC=CC=C4C3=O)SOO[O-].[Na+]

InChI

InChI=1S/C26H24N2O7S.Na/c1-15(2)13-32-33-14-16-8-9-19(22(12-16)36-35-34-31)28-21-11-10-20(27-3)23-24(21)26(30)18-7-5-4-6-17(18)25(23)29;/h4-12,27-28,31H,1,13-14H2,2-3H3;/q;+1/p-1