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31034-03-4 | 2-Naphthalenesulfonic acid, 6,6'-oxybis-
CAS No: 31034-03-4 Catalog No: AG0031YV MDL No:
Product Description
Catalog Number:
AG0031YV
Chemical Name:
2-Naphthalenesulfonic acid, 6,6'-oxybis-
CAS Number:
31034-03-4
Molecular Formula:
C20H14O7S2
Molecular Weight:
430.4510
IUPAC Name:
6-(6-sulfonaphthalen-2-yl)oxynaphthalene-2-sulfonic acid
InChI:
InChI=1S/C20H14O7S2/c21-28(22,23)19-7-3-13-9-17(5-1-15(13)11-19)27-18-6-2-16-12-20(29(24,25)26)8-4-14(16)10-18/h1-12H,(H,21,22,23)(H,24,25,26)
InChI Key:
RCLDHCIEAUJSBD-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O
Properties
Complexity:
717
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.018g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
430.445g/mol
Monoisotopic Mass:
430.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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