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63149-36-0 | 1-(3-Sulfonatopropyl)-2-[[3-[3-(sodiosulfo)propyl]benzothiazol-2(3H)-ylidene]methyl]naphtho[1,2-d]thiazol-1-ium
CAS No: 63149-36-0 Catalog No: AG00F5TA MDL No:
Product Description
Catalog Number:
AG00F5TA
Chemical Name:
1-(3-Sulfonatopropyl)-2-[[3-[3-(sodiosulfo)propyl]benzothiazol-2(3H)-ylidene]methyl]naphtho[1,2-d]thiazol-1-ium
CAS Number:
63149-36-0
IUPAC Name:
sodium;3-[2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
InChI:
InChI=1S/C25H24N2O6S4.Na/c28-36(29,30)15-5-13-26-20-9-3-4-10-21(20)34-23(26)17-24-27(14-6-16-37(31,32)33)25-19-8-2-1-7-18(19)11-12-22(25)35-24;/h1-4,7-12,17H,5-6,13-16H2,(H-,28,29,30,31,32,33);/q;+1/p-1
InChI Key:
QPXWEBRFAMDWFJ-UHFFFAOYSA-M
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
598.034g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
598.697g/mol
Monoisotopic Mass:
598.034g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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