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

Systemtic Name: 1,4-bis[[4-hexyl-2-(trioxidanylsulfanyl)phenyl]amino]anthracene-9,10-dione Openeye Name: 1,4-bis[4-hexyl-2-(trioxidanylsulfanyl)anilino]anthracene-9,10-dione CAS Name: 5-hexyl-2-[[4-[4-hexyl-2-(trioxidanylthio)anilino]-9,10-dioxo-1-anthracenyl]amino]benzenesulfenic acid hydroperoxy ester IUPAC Name: 1,4-bis[4-hexyl-2-(trioxidanylsulfanyl)anilino]anthracene-9,10-dione Traditional Name: 1,4-bis[4-hexyl-2-(trioxidanylthio)anilino]-9,10-anthraquinone Formula: C38H42N2O8S2 MolecularWeight: 718.87868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)CCCCCC)SOOO)C(=O)C5=CC=CC=C5C3=O)SOOO

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)CCCCCC)SOOO)C(=O)C5=CC=CC=C5C3=O)SOOO

InChI

InChI=1S/C38H42N2O8S2/c1-3-5-7-9-13-25-17-19-29(33(23-25)49-47-45-43)39-31-21-22-32(36-35(31)37(41)27-15-11-12-16-28(27)38(36)42)40-30-20-18-26(14-10-8-6-4-2)24-34(30)50-48-46-44/h11-12,15-24,39-40,43-44H,3-10,13-14H2,1-2H3