Specification: |
The 2-[2-[2-Chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium tetrafluoroborate(1-), with the CAS registry number 439859-04-8, is also known as 3H-Indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, tetrafluoroborate(1-) (9CI). This chemical's molecular formula is C32H36ClN2.BF4 and formula weight is 570.91. What's more, its systematic name is called 2-[(E)-2-[(3E)-2-Chloro-3-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclohexen-1-yl]vinyl]-1,3,3-trimethyl-indol-1-ium tetrafluoroborate.
Physical properties about this chemical are: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3.
You can still convert the following datas into molecular structure:
(1)SMILES: [B-](F)(F)(F)F.CC1(c2ccccc2[N+](=C1C=CC3=C(C(=CC=C4C(c5ccccc5N4C)(C)C)CCC3)Cl)C)C
(2)InChI: InChI=1/C32H36ClN2.BF4/c1-31(2)24-14-7-9-16-26(24)34(5)28(31)20-18-22-12-11-13-23(30(22)33)19-21-29-32(3,4)25-15-8-10-17-27(25)35(29)6;2-1(3,4)5/h7-10,14-21H,11-13H2,1-6H3;/q+1;-1
(3)InChIKey: CHJQJBNHNFXMEZ-UHFFFAOYAP
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