200,000+ products from a single source!
sales@angenechem.com
71130-10-4 | Benzoxazolium,5-benzoyl-2-[3-(5-benzoyl-3-ethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-3-ethyl-,iodide (1:1)
CAS No: 71130-10-4 Catalog No: AG005XCC MDL No:
Product Description
Catalog Number:
AG005XCC
Chemical Name:
Benzoxazolium,5-benzoyl-2-[3-(5-benzoyl-3-ethyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-3-ethyl-,iodide (1:1)
CAS Number:
71130-10-4
Molecular Formula:
C35H29IN2O4
Molecular Weight:
668.5202
IUPAC Name:
[2-[3-(5-benzoyl-3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzoxazol-5-yl]-phenylmethanone;iodide
InChI:
InChI=1S/C35H29N2O4.HI/c1-3-36-28-22-26(34(38)24-12-7-5-8-13-24)18-20-30(28)40-32(36)16-11-17-33-37(4-2)29-23-27(19-21-31(29)41-33)35(39)25-14-9-6-10-15-25;/h5-23H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
BIUQFXFBJGADRM-UHFFFAOYSA-M
SMILES:
CC[n+]1c(C=CC=c2oc3c(n2CC)cc(cc3)C(=O)c2ccccc2)oc2c1cc(cc2)C(=O)c1ccccc1.[I-]
EC Number:
275-209-5
Properties
Complexity:
904
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
668.117g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
668.531g/mol
Monoisotopic Mass:
668.117g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.