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92569-97-6 | 2-((E)-3-(5,5-DIMETHYL-3-[(E)-1-METHYL-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-2-CYCLOHEXEN-1-YLIDENE)-1-BUTENYL)-1,3,3-TRIMETHYL-3H-INDOLIUM PERCHLORATE
CAS No: 92569-97-6 Catalog No: AG00H0MI MDL No:
Product Description
Catalog Number:
AG00H0MI
Chemical Name:
2-((E)-3-(5,5-DIMETHYL-3-[(E)-1-METHYL-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-2-CYCLOHEXEN-1-YLIDENE)-1-BUTENYL)-1,3,3-TRIMETHYL-3H-INDOLIUM PERCHLORATE
CAS Number:
92569-97-6
IUPAC Name:
2-[3-[5,5-dimethyl-3-[4-(1,3,3-trimethylindol-1-ium-2-yl)but-3-en-2-ylidene]cyclohexen-1-yl]but-2-enylidene]-1,3,3-trimethylindole;perchlorate
InChI:
InChI=1S/C38H47N2.ClHO4/c1-26(19-21-34-37(5,6)30-15-11-13-17-32(30)39(34)9)28-23-29(25-36(3,4)24-28)27(2)20-22-35-38(7,8)31-16-12-14-18-33(31)40(35)10;2-1(3,4)5/h11-23H,24-25H2,1-10H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
GHRZFFMTTAJQCR-UHFFFAOYSA-M
Properties
Complexity:
1200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
630.322g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
631.254g/mol
Monoisotopic Mass:
630.322g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
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