Molecular Structure of 2-[2-[3-[(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium perchlorate (CAS No.70446-30-9):
Molecular Formula: C37H39N2.ClO4
Molecular Weight: 611.18
CAS No: 70446-30-9
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 80.52 Å2
Systematic Name: 1,3,3-Trimethyl-2-[(E)-2-[(3E)-2-phenyl-3-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclopenten-1-yl]vinyl]indol-1-ium perchlorate
InChI: InChI=1/C37H39N2.ClO4/c1-36(2)29-16-10-12-18-31(29)38(5)33(36)24-22-27-20-21-28(35(27)26-14-8-7-9-15-26)23-25-34-37(3,4)30-17-11-13-19-32(30)39(34)6;2-1(3,4)5/h7-19,22-25H,20-21H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey: IKQYLPIVSOYOSW-REWHXWOFAG
2-[2-[3-[(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium perchlorate (CAS No.70446-30-9), it also can be called 1,3,3-Trimethyl-2-(2-{2-phenyl-3-[2-(1,3,3-trimethyl-2,3-dihydro-1H-2-indolyliden)ethylidene]-1-cyclopentenyl}-1-ethenyl)-3H-indolium perchloride ; 3H-Indolium, 2-[2-[3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-, perchlorate (9CI) .
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