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93964-28-4 | 3-ETHYL-2-[[1-ETHYL-4-[(3-ETHYL-3H-BENZOSELENAZOL-2-YLIDENE)ETHYLIDENE]-5-OXO-3-PHENYLIMIDAZOLIDIN-2-YLIDENE]METHYL]BENZOSELENAZOLIUM IODIDE
CAS No: 93964-28-4 Catalog No: AG006AK1 MDL No:
Product Description
Catalog Number:
AG006AK1
Chemical Name:
3-ETHYL-2-[[1-ETHYL-4-[(3-ETHYL-3H-BENZOSELENAZOL-2-YLIDENE)ETHYLIDENE]-5-OXO-3-PHENYLIMIDAZOLIDIN-2-YLIDENE]METHYL]BENZOSELENAZOLIUM IODIDE
CAS Number:
93964-28-4
Molecular Formula:
C32H31IN4OSe2
Molecular Weight:
772.4392
IUPAC Name:
(2Z,5E)-3-ethyl-2-[(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)methylidene]-5-[(2Z)-2-(3-ethyl-1,3-benzoselenazol-2-ylidene)ethylidene]-1-phenylimidazolidin-4-one;iodide
InChI:
InChI=1S/C32H31N4OSe2.HI/c1-4-33-24-16-10-12-18-27(24)38-30(33)21-20-26-32(37)35(6-3)29(36(26)23-14-8-7-9-15-23)22-31-34(5-2)25-17-11-13-19-28(25)39-31;/h7-22H,4-6H2,1-3H3;1H/q+1;/p-1/b26-20+,30-21-;
InChI Key:
BDDKZXTYLKCYSK-ZWAXMQAOSA-M
SMILES:
CC[n+]1c(C=c2n(CC)c(=O)c(=CC=c3[se]c4c(n3CC)cccc4)n2c2ccccc2)[se]c2c1cccc2.[I-]
EC Number:
300-877-2
Properties
Complexity:
989
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
773.987g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
772.473g/mol
Monoisotopic Mass:
773.987g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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