2-[4-[4-[4-[8-[8-[4-[4-[4-[9,10-bis(oxidanylidene)anthracen-2-yl]carbonylpiperazin-1-yl]phenyl]piperazin-1-yl]octyldisulfanyl]octyl]piperazin-1-yl]phenyl]piperazin-1-yl]carbonylanthracene-9,10-dione

Systemtic Name: 2-[4-[4-[4-[8-[8-[4-[4-[4-[9,10-bis(oxidanylidene)anthracen-2-yl]carbonylpiperazin-1-yl]phenyl]piperazin-1-yl]octyldisulfanyl]octyl]piperazin-1-yl]phenyl]piperazin-1-yl]carbonylanthracene-9,10-dione Openeye Name: 2-[4-[4-[4-[8-[8-[4-[4-[4-(9,10-dioxoanthracene-2-carbonyl)piperazin-1-yl]phenyl]piperazin-1-yl]octyldisulfanyl]octyl]piperazin-1-yl]phenyl]piperazine-1-carbonyl]anthracene-9,10-dione CAS Name: 2-[[4-[4-[4-[8-[8-[4-[4-[4-[(9,10-dioxo-2-anthracenyl)-oxomethyl]-1-piperazinyl]phenyl]-1-piperazinyl]octyldisulfanyl]octyl]-1-piperazinyl]phenyl]-1-piperazinyl]-oxomethyl]anthracene-9,10-dione IUPAC Name: 2-[4-[4-[4-[8-[8-[4-[4-[4-(9,10-dioxoanthracene-2-carbonyl)piperazin-1-yl]phenyl]piperazin-1-yl]octyldisulfanyl]octyl]piperazin-1-yl]phenyl]piperazine-1-carbonyl]anthracene-9,10-dione Traditional Name: 2-[4-[4-[4-[8-[8-[4-[4-[4-(9,10-diketoanthracene-2-carbonyl)piperazino]phenyl]piperazino]octyldisulfanyl]octyl]piperazino]phenyl]piperazine-1-carbonyl]-9,10-anthraquinone Formula: C74H86N8O6S2 MolecularWeight: 1247.65464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCCCCSSCCCCCCCCN2CCN(CC2)C3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)C(=O)C7=CC=CC=C7C6=O)C8=CC=C(C=C8)N9CCN(CC9)C(=O)C1=CC2=C(C=C1)C(=O)C1=CC=CC=C1C2=O

Isomeric SMILES

C1CN(CCN1CCCCCCCCSSCCCCCCCCN2CCN(CC2)C3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)C(=O)C7=CC=CC=C7C6=O)C8=CC=C(C=C8)N9CCN(CC9)C(=O)C1=CC2=C(C=C1)C(=O)C1=CC=CC=C1C2=O

InChI

InChI=1S/C74H86N8O6S2/c83-69-61-17-9-11-19-63(61)71(85)67-53-55(21-31-65(67)69)73(87)81-47-43-79(44-48-81)59-27-23-57(24-28-59)77-39-35-75(36-40-77)33-13-5-1-3-7-15-51-89-90-52-16-8-4-2-6-14-34-76-37-41-78(42-38-76)58-25-29-60(30-26-58)80-45-49-82(50-46-80)74(88)56-22-32-66-68(54-56)72(86)64-20-12-10-18-62(64)70(66)84/h9-12,17-32,53-54H,1-8,13-16,33-52H2