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84100-31-2 | 1,3,7-Naphthalenetrisulfonicacid, sodium salt (1:3)
CAS No: 84100-31-2 Catalog No: AG004ST6 MDL No:
Product Description
Catalog Number:
AG004ST6
Chemical Name:
1,3,7-Naphthalenetrisulfonicacid, sodium salt (1:3)
CAS Number:
84100-31-2
Molecular Formula:
C10H5Na3O9S3
Molecular Weight:
434.3056
IUPAC Name:
trisodium;naphthalene-1,3,7-trisulfonate
InChI:
InChI=1S/C10H8O9S3.3Na/c11-20(12,13)7-2-1-6-3-8(21(14,15)16)5-10(9(6)4-7)22(17,18)19;;;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;/q;3*+1/p-3
InChI Key:
ZMIKQGGRDSRURY-UHFFFAOYSA-K
SMILES:
[O-]S(=O)(=O)c1cc(cc2c1cc(cc2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
EC Number:
282-112-1
Properties
Complexity:
680
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.879g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.29g/mol
Monoisotopic Mass:
433.879g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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