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146462-60-4 | 3,6,9,12-Tetraoxatridecan-1-ol, 13,13,13-triphenyl-, 1-methanesulfonate
CAS No: 146462-60-4 Catalog No: AG001E1H MDL No:
Product Description
Catalog Number:
AG001E1H
Chemical Name:
3,6,9,12-Tetraoxatridecan-1-ol, 13,13,13-triphenyl-, 1-methanesulfonate
CAS Number:
146462-60-4
Molecular Formula:
C28H34O7S
Molecular Weight:
514.6304
IUPAC Name:
methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol
InChI:
InChI=1S/C27H32O5.CH4O3S/c28-16-17-29-18-19-30-20-21-31-22-23-32-27(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;1-5(2,3)4/h1-15,28H,16-23H2;1H3,(H,2,3,4)
InChI Key:
XTWYJMJSZWBZEX-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.213g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
532.648g/mol
Monoisotopic Mass:
532.213g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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