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Home > Indoles and Oxindole > 651331-71-4
651331-71-4 | 1H-Indole-3-octadecanol, 4-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
CAS No: 651331-71-4 Catalog No: AG006QLC MDL No:
Product Description
Catalog Number:
AG006QLC
Chemical Name:
1H-Indole-3-octadecanol, 4-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
CAS Number:
651331-71-4
Molecular Formula:
C34H51NO5S
Molecular Weight:
585.8374
IUPAC Name:
18-[4-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]octadecan-1-ol
InChI:
InChI=1S/C34H51NO5S/c1-39-30-23-25-31(26-24-30)41(37,38)35-28-29(34-32(35)21-19-22-33(34)40-2)20-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-27-36/h19,21-26,28,36H,3-18,20,27H2,1-2H3
InChI Key:
XOGGPACAHQRCFM-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCCCCCCCc1cn(c2c1c(OC)ccc2)S(=O)(=O)c1ccc(cc1)OC
Properties
Complexity:
764
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
585.349g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
585.844g/mol
Monoisotopic Mass:
585.349g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11
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