9-[6-(2-oxidanylacridin-10-ium-9-yl)sulfanylhexylsulfanyl]acridin-10-ium-2-ol

Systemtic Name: 9-[6-(2-oxidanylacridin-10-ium-9-yl)sulfanylhexylsulfanyl]acridin-10-ium-2-ol Openeye Name: 9-[6-(2-hydroxyacridin-10-ium-9-yl)sulfanylhexylsulfanyl]acridin-10-ium-2-ol CAS Name: 9-[6-[(2-hydroxy-9-acridin-10-iumyl)thio]hexylthio]-2-acridin-10-iumol IUPAC Name: 9-[6-(2-hydroxyacridin-10-ium-9-yl)sulfanylhexylsulfanyl]acridin-10-ium-2-ol Traditional Name: 9-[6-[(2-hydroxyacridin-10-ium-9-yl)thio]hexylthio]acridin-10-ium-2-ol Formula: C32H30N2O2S2+2 MolecularWeight: 538.7228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=C(C=CC3=[NH+]2)O)SCCCCCCSC4=C5C=C(C=CC5=[NH+]C6=CC=CC=C64)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=C(C=CC3=[NH+]2)O)SCCCCCCSC4=C5C=C(C=CC5=[NH+]C6=CC=CC=C64)O

InChI

InChI=1S/C32H28N2O2S2/c35-21-13-15-29-25(19-21)31(23-9-3-5-11-27(23)33-29)37-17-7-1-2-8-18-38-32-24-10-4-6-12-28(24)34-30-16-14-22(36)20-26(30)32/h3-6,9-16,19-20,35-36H,1-2,7-8,17-18H2/p+2