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14894-58-7 | Methanol, 1-[(4-methylphenyl)sulfonyl]-, 1-(4-methylbenzenesulfonate)
CAS No: 14894-58-7 Catalog No: AG001LB0 MDL No:
Product Description
Catalog Number:
AG001LB0
Chemical Name:
Methanol, 1-[(4-methylphenyl)sulfonyl]-, 1-(4-methylbenzenesulfonate)
CAS Number:
14894-58-7
Molecular Formula:
C15H18O6S2
Molecular Weight:
358.4298
IUPAC Name:
4-methylbenzenesulfonic acid;(4-methylphenyl)sulfonylmethanol
InChI:
InChI=1S/C8H10O3S.C7H8O3S/c1-7-2-4-8(5-3-7)12(10,11)6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,9H,6H2,1H3;2-5H,1H3,(H,8,9,10)
InChI Key:
FZFHYWZMKOWZLS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.OCS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.054g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.423g/mol
Monoisotopic Mass:
358.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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