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88875-86-9 | 2-Propanol, 1-(octadecyloxy)-3-(triphenylmethoxy)-, benzenesulfonate
CAS No: 88875-86-9 Catalog No: AG00498D MDL No:
Product Description
Catalog Number:
AG00498D
Chemical Name:
2-Propanol, 1-(octadecyloxy)-3-(triphenylmethoxy)-, benzenesulfonate
CAS Number:
88875-86-9
Molecular Formula:
C46H64O6S
Molecular Weight:
745.0618
IUPAC Name:
benzenesulfonic acid;1-octadecoxy-3-trityloxypropan-2-ol
InChI:
InChI=1S/C40H58O3.C6H6O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-33-42-34-39(41)35-43-40(36-27-20-17-21-28-36,37-29-22-18-23-30-37)38-31-24-19-25-32-38;7-10(8,9)6-4-2-1-3-5-6/h17-25,27-32,39,41H,2-16,26,33-35H2,1H3;1-5H,(H,7,8,9)
InChI Key:
DPJAMKZDQJNRJV-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccccc1.CCCCCCCCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)O
Properties
Complexity:
755
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
744.442g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
745.072g/mol
Monoisotopic Mass:
744.442g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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