200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 70446-24-1
70446-24-1 | 2-((E)-2-(2-METHOXY-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL)VINYL)-1,3,3-TRIMETHYL-3H-INDOLIUM PERCHLORATE
CAS No: 70446-24-1 Catalog No: AG005UN5 MDL No:
Product Description
Catalog Number:
AG005UN5
Chemical Name:
2-((E)-2-(2-METHOXY-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL)VINYL)-1,3,3-TRIMETHYL-3H-INDOLIUM PERCHLORATE
CAS Number:
70446-24-1
Molecular Formula:
C33H39ClN2O5
Molecular Weight:
579.1262
IUPAC Name:
(2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;perchlorate
InChI:
InChI=1S/C33H39N2O.ClHO4/c1-32(2)25-15-8-10-17-27(25)34(5)29(32)21-19-23-13-12-14-24(31(23)36-7)20-22-30-33(3,4)26-16-9-11-18-28(26)35(30)6;2-1(3,4)5/h8-11,15-22H,12-14H2,1-7H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
ZWFWFGLXKWXXDA-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.COC1=C(CCCC1=C/C=C\1/N(C)c2c(C1(C)C)cccc2)/C=C/C1=[N+](C)c2c(C1(C)C)cccc2
Properties
Complexity:
1040
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
578.255g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
579.134g/mol
Monoisotopic Mass:
578.255g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.