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89202-65-3 | 1,4-Benzenediol, 2,5-bis(phenylthio)-, diacetate
CAS No: 89202-65-3 Catalog No: AG0046BB MDL No:
Product Description
Catalog Number:
AG0046BB
Chemical Name:
1,4-Benzenediol, 2,5-bis(phenylthio)-, diacetate
CAS Number:
89202-65-3
Molecular Formula:
C22H22O6S2
Molecular Weight:
446.5365
IUPAC Name:
acetic acid;2,5-bis(phenylsulfanyl)benzene-1,4-diol
InChI:
InChI=1S/C18H14O2S2.2C2H4O2/c19-15-12-18(22-14-9-5-2-6-10-14)16(20)11-17(15)21-13-7-3-1-4-8-13;2*1-2(3)4/h1-12,19-20H;2*1H3,(H,3,4)
InChI Key:
GFFGEVPKZZQPJL-UHFFFAOYSA-N
SMILES:
Oc1cc(Sc2ccccc2)c(cc1Sc1ccccc1)O.CC(=O)O.CC(=O)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.086g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
446.532g/mol
Monoisotopic Mass:
446.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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