1-[[4-methyl-2-(trioxidanylsulfanyl)phenyl]amino]-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-[[4-methyl-2-(trioxidanylsulfanyl)phenyl]amino]-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-hydroxy-4-[4-methyl-2-(trioxidanylsulfanyl)anilino]anthracene-9,10-dione CAS Name: 2-[(4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-5-methylbenzenesulfenic acid hydroperoxy ester IUPAC Name: 1-hydroxy-4-[4-methyl-2-(trioxidanylsulfanyl)anilino]anthracene-9,10-dione Traditional Name: 1-hydroxy-4-[4-methyl-2-(trioxidanylthio)anilino]-9,10-anthraquinone Formula: C21H15NO6S MolecularWeight: 409.4119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)SOOO

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)SOOO

InChI

InChI=1S/C21H15NO6S/c1-11-6-7-14(17(10-11)29-28-27-26)22-15-8-9-16(23)19-18(15)20(24)12-4-2-3-5-13(12)21(19)25/h2-10,22-23,26H,1H3