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31081-09-1

31081-09-1 | Methanol, 1-[(4-methylphenyl)sulfonyl]-, 1-benzenesulfonate

CAS No: 31081-09-1 Catalog No: AG00322N MDL No:

Product Description

Catalog Number:
AG00322N
Chemical Name:
Methanol, 1-[(4-methylphenyl)sulfonyl]-, 1-benzenesulfonate
CAS Number:
31081-09-1
Molecular Formula:
C14H14O5S2
Molecular Weight:
326.3880
IUPAC Name:
benzenesulfonic acid;(4-methylphenyl)sulfonylmethanol
InChI:
InChI=1S/C8H10O3S.C6H6O3S/c1-7-2-4-8(5-3-7)12(10,11)6-9;7-10(8,9)6-4-2-1-3-5-6/h2-5,9H,6H2,1H3;1-5H,(H,7,8,9)
InChI Key:
WEKLSQUKNVLVQR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)COS(=O)(=O)c1ccccc1

Properties

Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.039g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
344.396g/mol
Monoisotopic Mass:
344.039g/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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