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16470-45-4 | hydrogen -1-(3-sulphonatopropyl)-2-[2-[[1-(3-sulphonatopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl]-1-butenyl]naphtho[1,2-d]thiazolium, sodium salt
CAS No: 16470-45-4 Catalog No: AG00B38M MDL No:
Product Description
Catalog Number:
AG00B38M
Chemical Name:
hydrogen -1-(3-sulphonatopropyl)-2-[2-[[1-(3-sulphonatopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl]-1-butenyl]naphtho[1,2-d]thiazolium, sodium salt
CAS Number:
16470-45-4
IUPAC Name:
sodium;3-[(2Z)-2-[(2E)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate
InChI:
InChI=1S/C33H32N2O6S4.Na/c1-2-23(21-30-34(17-7-19-44(36,37)38)32-26-11-5-3-9-24(26)13-15-28(32)42-30)22-31-35(18-8-20-45(39,40)41)33-27-12-6-4-10-25(27)14-16-29(33)43-31;/h3-6,9-16,21-22H,2,7-8,17-20H2,1H3,(H-,36,37,38,39,40,41);/q;+1/p-1
InChI Key:
OSCPLDUCTDFYNQ-UHFFFAOYSA-M
EC Number:
240-525-4
Properties
Complexity:
1190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
702.096g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
702.849g/mol
Monoisotopic Mass:
702.096g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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