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84109-08-0 | 3H-Indolium, 1-dodecyl-2-(3-(1-dodecyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propenyl)-3,3-dimethyl-, perchlorate
CAS No: 84109-08-0 Catalog No: AG004ZL5 MDL No:
Product Description
Catalog Number:
AG004ZL5
Chemical Name:
3H-Indolium, 1-dodecyl-2-(3-(1-dodecyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propenyl)-3,3-dimethyl-, perchlorate
CAS Number:
84109-08-0
Molecular Formula:
C47H73ClN2O4
Molecular Weight:
765.5465
IUPAC Name:
1-dodecyl-2-[3-(1-dodecyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;perchlorate
InChI:
InChI=1S/C47H73N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-29-38-48-42-34-27-25-32-40(42)46(3,4)44(48)36-31-37-45-47(5,6)41-33-26-28-35-43(41)49(45)39-30-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h25-28,31-37H,7-24,29-30,38-39H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
MPVFAUXPXHGRPQ-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CCCCCCCCCCCCN1c2ccccc2C(C1=CC=CC1=[N+](CCCCCCCCCCCC)c2c(C1(C)C)cccc2)(C)C
Properties
Complexity:
1030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
764.526g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
765.561g/mol
Monoisotopic Mass:
764.526g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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