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128544-06-9 | [1,1'-Binaphthalene]-2,2'-diol, 2,2'-bis(4-methylbenzenesulfonate), (1S)-
CAS No: 128544-06-9 Catalog No: AG000Y5T MDL No:
Product Description
Catalog Number:
AG000Y5T
Chemical Name:
[1,1'-Binaphthalene]-2,2'-diol, 2,2'-bis(4-methylbenzenesulfonate), (1S)-
CAS Number:
128544-06-9
Molecular Formula:
C34H26O6S2
Molecular Weight:
594.6966
IUPAC Name:
[1-[2-(4-methylphenyl)sulfonyloxynaphthalen-1-yl]naphthalen-2-yl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C34H26O6S2/c1-23-11-17-27(18-12-23)41(35,36)39-31-21-15-25-7-3-5-9-29(25)33(31)34-30-10-6-4-8-26(30)16-22-32(34)40-42(37,38)28-19-13-24(2)14-20-28/h3-22H,1-2H3
InChI Key:
BKYJBVWKVKRIDN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1c1c(ccc3c1cccc3)OS(=O)(=O)c1ccc(cc1)C)cccc2
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
594.117g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
594.696g/mol
Monoisotopic Mass:
594.117g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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