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63815-64-5 | 2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-3-(4-sulphonatobutyl)benzothiazolium
CAS No: 63815-64-5 Catalog No: AG00ETEC MDL No:
Product Description
Catalog Number:
AG00ETEC
Chemical Name:
2-[2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-3-(4-sulphonatobutyl)benzothiazolium
CAS Number:
63815-64-5
IUPAC Name:
4-[(2Z)-2-[(2E)-2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-6-methoxy-5-methyl-1,3-benzothiazol-3-yl]butane-1-sulfonate
InChI:
InChI=1S/C28H34N2O5S2Se/c1-6-20(16-28-29(7-2)23-17-21(34-4)10-11-26(23)38-28)15-27-30(12-8-9-13-37(31,32)33)22-14-19(3)24(35-5)18-25(22)36-27/h10-11,14-18H,6-9,12-13H2,1-5H3
InChI Key:
GDNHWQHMPIKQLF-UHFFFAOYSA-N
EC Number:
264-472-1
Properties
Complexity:
942
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
622.107g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
621.68g/mol
Monoisotopic Mass:
622.107g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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