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86831-17-6 | Naphthalene, octakis(phenylthio)-
CAS No: 86831-17-6 Catalog No: AG004QYB MDL No:
Product Description
Catalog Number:
AG004QYB
Chemical Name:
Naphthalene, octakis(phenylthio)-
CAS Number:
86831-17-6
Molecular Formula:
C58H40S8
Molecular Weight:
993.4582
IUPAC Name:
1,2,3,4,5,6,7,8-octakis(phenylsulfanyl)naphthalene
InChI:
InChI=1S/C58H40S8/c1-9-25-41(26-10-1)59-51-49-50(53(61-43-29-13-3-14-30-43)56(64-46-35-19-6-20-36-46)55(51)63-45-33-17-5-18-34-45)54(62-44-31-15-4-16-32-44)58(66-48-39-23-8-24-40-48)57(65-47-37-21-7-22-38-47)52(49)60-42-27-11-2-12-28-42/h1-40H
InChI Key:
OAHXSCAQOJHNTC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Sc1c(Sc2ccccc2)c(Sc2ccccc2)c(c2c1c(Sc1ccccc1)c(Sc1ccccc1)c(c2Sc1ccccc1)Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
992.09g/mol
Formal Charge:
0
Heavy Atom Count:
66
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
993.438g/mol
Monoisotopic Mass:
992.09g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
19.7
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