9-[6-(4-oxidanylacridin-10-ium-9-yl)sulfanylhexylsulfanyl]acridin-10-ium-4-ol

Systemtic Name: 9-[6-(4-oxidanylacridin-10-ium-9-yl)sulfanylhexylsulfanyl]acridin-10-ium-4-ol Openeye Name: 9-[6-(4-hydroxyacridin-10-ium-9-yl)sulfanylhexylsulfanyl]acridin-10-ium-4-ol CAS Name: 9-[6-[(4-hydroxy-9-acridin-10-iumyl)thio]hexylthio]-4-acridin-10-iumol IUPAC Name: 9-[6-(4-hydroxyacridin-10-ium-9-yl)sulfanylhexylsulfanyl]acridin-10-ium-4-ol Traditional Name: 9-[6-[(4-hydroxyacridin-10-ium-9-yl)thio]hexylthio]acridin-10-ium-4-ol Formula: C32H30N2O2S2+2 MolecularWeight: 538.7228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=C(C3=[NH+]2)O)SCCCCCCSC4=C5C=CC=C(C5=[NH+]C6=CC=CC=C64)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=C(C3=[NH+]2)O)SCCCCCCSC4=C5C=CC=C(C5=[NH+]C6=CC=CC=C64)O

InChI

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