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

Systemtic Name: 1,4-bis[[4-methyl-2-(trioxidanylsulfanyl)phenyl]amino]anthracene-9,10-dione Openeye Name: 1,4-bis[4-methyl-2-(trioxidanylsulfanyl)anilino]anthracene-9,10-dione CAS Name: 5-methyl-2-[[4-[4-methyl-2-(trioxidanylthio)anilino]-9,10-dioxo-1-anthracenyl]amino]benzenesulfenic acid hydroperoxy ester IUPAC Name: 1,4-bis[4-methyl-2-(trioxidanylsulfanyl)anilino]anthracene-9,10-dione Traditional Name: 1,4-bis[4-methyl-2-(trioxidanylthio)anilino]-9,10-anthraquinone Formula: C28H22N2O8S2 MolecularWeight: 578.61288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)SOOO)C(=O)C5=CC=CC=C5C3=O)SOOO

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)SOOO)C(=O)C5=CC=CC=C5C3=O)SOOO

InChI

InChI=1S/C28H22N2O8S2/c1-15-7-9-19(23(13-15)39-37-35-33)29-21-11-12-22(30-20-10-8-16(2)14-24(20)40-38-36-34)26-25(21)27(31)17-5-3-4-6-18(17)28(26)32/h3-14,29-30,33-34H,1-2H3