(2Z)-2-[(2E)-2-[2-chloranyl-3-[(E)-2-(3-decyl-1,1-dimethyl-8-nitro-benzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-decyl-1,1-dimethyl-8-nitro-benzo[e]indole

Systemtic Name: (2Z)-2-[(2E)-2-[2-chloranyl-3-[(E)-2-(3-decyl-1,1-dimethyl-8-nitro-benzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-decyl-1,1-dimethyl-8-nitro-benzo[e]indole Openeye Name: (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-decyl-1,1-dimethyl-8-nitro-benzo[e]indol-3-ium-2-yl)vinyl]cyclohex-2-en-1-ylidene]ethylidene]-3-decyl-1,1-dimethyl-8-nitro-benzo[e]indole CAS Name: (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-decyl-1,1-dimethyl-8-nitro-2-benzo[e]indol-3-iumyl)ethenyl]-1-cyclohex-2-enylidene]ethylidene]-3-decyl-1,1-dimethyl-8-nitrobenzo[e]indole IUPAC Name: (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-decyl-1,1-dimethyl-8-nitrobenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-decyl-1,1-dimethyl-8-nitrobenzo[e]indole Traditional Name: (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-decyl-1,1-dimethyl-8-nitro-benz[e]indol-3-ium-2-yl)vinyl]cyclohex-2-en-1-ylidene]ethylidene]-3-decyl-1,1-dimethyl-8-nitro-benz[e]indole Formula: C58H74ClN4O4+ MolecularWeight: 926.68556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(C3=C(C=CC(=C3)[N+](=O)[O-])C=C2)C(C1=CC=C4CCCC(=C4Cl)C=CC5=[N+](C6=C(C5(C)C)C7=C(C=CC(=C7)[N+](=O)[O-])C=C6)CCCCCCCCCC)(C)C

Isomeric SMILES

CCCCCCCCCCN\1C2=C(C3=C(C=CC(=C3)[N+](=O)[O-])C=C2)C(/C1=C/C=C/4\CCCC(=C4Cl)/C=C/C5=[N+](C6=C(C5(C)C)C7=C(C=CC(=C7)[N+](=O)[O-])C=C6)CCCCCCCCCC)(C)C

InChI

InChI=1S/C58H74ClN4O4/c1-7-9-11-13-15-17-19-21-38-60-50-34-28-42-26-32-46(62(64)65)40-48(42)54(50)57(3,4)52(60)36-30-44-24-23-25-45(56(44)59)31-37-53-58(5,6)55-49-41-47(63(66)67)33-27-43(49)29-35-51(55)61(53)39-22-20-18-16-14-12-10-8-2/h26-37,40-41H,7-25,38-39H2,1-6H3/q+1