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156054-66-9 | Naphtho[1,2-d]thiazolium, 2-[[5,5-dimethyl-3-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl]-2-cyclohexen-1-ylidene]methyl]-1-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
CAS No: 156054-66-9 Catalog No: AG001OGR MDL No:
Product Description
Catalog Number:
AG001OGR
Chemical Name:
Naphtho[1,2-d]thiazolium, 2-[[5,5-dimethyl-3-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl]-2-cyclohexen-1-ylidene]methyl]-1-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
CAS Number:
156054-66-9
IUPAC Name:
3-[2-[[5,5-dimethyl-3-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]cyclohexen-1-yl]methylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;triethylazanium
InChI:
InChI=1S/C38H38N2O6S4.C6H15N/c1-38(2)24-26(22-34-39(17-7-19-49(41,42)43)36-30-11-5-3-9-28(30)13-15-32(36)47-34)21-27(25-38)23-35-40(18-8-20-50(44,45)46)37-31-12-6-4-10-29(31)14-16-33(37)48-35;1-4-7(5-2)6-3/h3-6,9-16,21-23H,7-8,17-20,24-25H2,1-2H3,(H-,41,42,43,44,45,46);4-6H2,1-3H3
InChI Key:
BCJGSHAPYSCZAI-UHFFFAOYSA-N
Properties
Complexity:
1440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
847.282g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
848.163g/mol
Monoisotopic Mass:
847.282g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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