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181043-32-3 | Naphthalene, 1,2,3,4,5,6,7,8-octakis[(3,5-dimethylphenyl)thio]-
CAS No: 181043-32-3 Catalog No: AG0022MV MDL No:
Product Description
Catalog Number:
AG0022MV
Chemical Name:
Naphthalene, 1,2,3,4,5,6,7,8-octakis[(3,5-dimethylphenyl)thio]-
CAS Number:
181043-32-3
Molecular Formula:
C74H72S8
Molecular Weight:
1217.8835
IUPAC Name:
1,2,3,4,5,6,7,8-octakis[(3,5-dimethylphenyl)sulfanyl]naphthalene
InChI:
InChI=1S/C74H72S8/c1-41-17-42(2)26-57(25-41)75-67-65-66(69(77-59-29-45(5)19-46(6)30-59)72(80-62-35-51(11)22-52(12)36-62)71(67)79-61-33-49(9)21-50(10)34-61)70(78-60-31-47(7)20-48(8)32-60)74(82-64-39-55(15)24-56(16)40-64)73(81-63-37-53(13)23-54(14)38-63)68(65)76-58-27-43(3)18-44(4)28-58/h17-40H,1-16H3
InChI Key:
ORZDUHJVDCQOPW-UHFFFAOYSA-N
SMILES:
Cc1cc(Sc2c(Sc3cc(C)cc(c3)C)c(Sc3cc(C)cc(c3)C)c(c3c2c(Sc2cc(C)cc(c2)C)c(c(c3Sc2cc(C)cc(c2)C)Sc2cc(C)cc(c2)C)Sc2cc(C)cc(c2)C)Sc2cc(C)cc(c2)C)cc(c1)C
Properties
Complexity:
1590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1216.34g/mol
Formal Charge:
0
Heavy Atom Count:
82
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1217.87g/mol
Monoisotopic Mass:
1216.34g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
25.6
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