2-methoxy-9-[8-(2-methoxyacridin-10-ium-9-yl)sulfanyloctylsulfanyl]acridin-10-ium

Systemtic Name: 2-methoxy-9-[8-(2-methoxyacridin-10-ium-9-yl)sulfanyloctylsulfanyl]acridin-10-ium Openeye Name: 2-methoxy-9-[8-(2-methoxyacridin-10-ium-9-yl)sulfanyloctylsulfanyl]acridin-10-ium CAS Name: 2-methoxy-9-[8-[(2-methoxy-9-acridin-10-iumyl)thio]octylthio]acridin-10-ium IUPAC Name: 2-methoxy-9-[8-(2-methoxyacridin-10-ium-9-yl)sulfanyloctylsulfanyl]acridin-10-ium Traditional Name: 2-methoxy-9-[8-[(2-methoxyacridin-10-ium-9-yl)thio]octylthio]acridin-10-ium Formula: C36H38N2O2S2+2 MolecularWeight: 594.82912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C3=CC=CC=C3[NH+]=C2C=C1)SCCCCCCCCSC4=C5C=C(C=CC5=[NH+]C6=CC=CC=C64)OC

Isomeric SMILES

COC1=CC2=C(C3=CC=CC=C3[NH+]=C2C=C1)SCCCCCCCCSC4=C5C=C(C=CC5=[NH+]C6=CC=CC=C64)OC

InChI

InChI=1S/C36H36N2O2S2/c1-39-25-17-19-33-29(23-25)35(27-13-7-9-15-31(27)37-33)41-21-11-5-3-4-6-12-22-42-36-28-14-8-10-16-32(28)38-34-20-18-26(40-2)24-30(34)36/h7-10,13-20,23-24H,3-6,11-12,21-22H2,1-2H3/p+2