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102185-03-5 | 3H-Indolium, 2-[2-[2-chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, perchlorate (1:1)
CAS No: 102185-03-5 Catalog No: AG0006T1 MDL No:
Product Description
Catalog Number:
AG0006T1
Chemical Name:
3H-Indolium, 2-[2-[2-chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, perchlorate (1:1)
CAS Number:
102185-03-5
Molecular Formula:
C32H36Cl2N2O4
Molecular Weight:
583.5452
IUPAC Name:
2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;perchlorate
InChI:
InChI=1S/C32H36ClN2.ClHO4/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;(H,2,3,4,5)/q+1;/p-1
InChI Key:
NALBXTAOVMLCIX-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.ClC1=C(CCCC1=CC=C1N(C)c2c(C1(C)C)cccc2)C=CC1=[N+](C)c2c(C1(C)C)cccc2
Properties
Complexity:
1030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
582.205g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
583.55g/mol
Monoisotopic Mass:
582.205g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
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