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361483-43-4 | 1-ETHYL-2-[(3-([1-ETHYLNAPHTHO[1,2-D][1,3]THIAZOL-2(1H)-YLIDENE]METHYL)-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]NAPHTHO[1,2-D][1,3]THIAZOL-1-IUM 4-METHYLBENZENESULFONATE
CAS No: 361483-43-4 Catalog No: AG00CTYM MDL No:
Product Description
Catalog Number:
AG00CTYM
Chemical Name:
1-ETHYL-2-[(3-([1-ETHYLNAPHTHO[1,2-D][1,3]THIAZOL-2(1H)-YLIDENE]METHYL)-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]NAPHTHO[1,2-D][1,3]THIAZOL-1-IUM 4-METHYLBENZENESULFONATE
CAS Number:
361483-43-4
IUPAC Name:
(2Z)-1-ethyl-2-[[(3E)-3-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]benzo[e][1,3]benzothiazole;4-methylbenzenesulfonate
InChI:
InChI=1S/C36H35N2S2.C7H8O3S/c1-5-37-32(39-30-17-15-26-11-7-9-13-28(26)34(30)37)20-24-19-25(23-36(3,4)22-24)21-33-38(6-2)35-29-14-10-8-12-27(29)16-18-31(35)40-33;1-6-2-4-7(5-3-6)11(8,9)10/h7-21H,5-6,22-23H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
YFVCHOAHDQXSKD-UHFFFAOYSA-M
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
730.236g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
731g/mol
Monoisotopic Mass:
730.236g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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