(2Z)-2-[(E)-3-(3-butyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,1-dimethyl-benzo[e]indole hexafluorophosphate

Systemtic Name: (2Z)-2-[(E)-3-(3-butyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,1-dimethyl-benzo[e]indole hexafluorophosphate Openeye Name: (2Z)-2-[(E)-3-(3-butyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,1-dimethyl-benzo[e]indole hexafluorophosphate CAS Name: (2Z)-2-[(E)-3-(3-butyl-1,1-dimethyl-2-benzo[e]indol-3-iumyl)prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole hexafluorophosphate IUPAC Name: (2Z)-2-[(E)-3-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,1-dimethylbenzo[e]indole hexafluorophosphate Traditional Name: (2Z)-2-[(E)-3-(3-butyl-1,1-dimethyl-benz[e]indol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,1-dimethyl-benz[e]indole hexafluorophosphate Formula: C37H41F6N2P MolecularWeight: 658.69902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C=CC=C4C(C5=C(N4CC)C=CC6=CC=CC=C65)(C)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)/C=C/C=C\4/C(C5=C(N4CC)C=CC6=CC=CC=C65)(C)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C37H41N2.F6P/c1-7-9-25-39-31-24-22-27-16-11-13-18-29(27)35(31)37(5,6)33(39)20-14-19-32-36(3,4)34-28-17-12-10-15-26(28)21-23-30(34)38(32)8-2;1-7(2,3,4,5)6/h10-24H,7-9,25H2,1-6H3;/q+1;-1