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151567-53-2 | 1-ETHYL-2-([7-([1-ETHYLNAPHTHO[1,2-D][1,3]THIAZOL-2(1H)-YLIDENE]METHYL)-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENYLIDENE]METHYL)NAPHTHO[1,2-D][1,3]THIAZOL-1-IUM IODIDE
CAS No: 151567-53-2 Catalog No: AG00AZQY MDL No:
Product Description
Catalog Number:
AG00AZQY
Chemical Name:
1-ETHYL-2-([7-([1-ETHYLNAPHTHO[1,2-D][1,3]THIAZOL-2(1H)-YLIDENE]METHYL)-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENYLIDENE]METHYL)NAPHTHO[1,2-D][1,3]THIAZOL-1-IUM IODIDE
CAS Number:
151567-53-2
IUPAC Name:
(2Z)-1-ethyl-2-[[(7E)-7-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]benzo[e][1,3]benzothiazole;iodide
InChI:
InChI=1S/C38H35N2S2.HI/c1-3-39-35(41-33-19-17-28-9-5-7-11-31(28)37(33)39)23-25-13-15-27-16-14-26(22-30(27)21-25)24-36-40(4-2)38-32-12-8-6-10-29(32)18-20-34(38)42-36;/h5-12,17-24,27H,3-4,13-16H2,1-2H3;1H/q+1;/p-1
InChI Key:
KNULVYNSBDUSAX-UHFFFAOYSA-M
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
710.129g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
710.736g/mol
Monoisotopic Mass:
710.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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