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69361-67-7 | ETHYL 2-[4-[4-(1-ETHOXYCARBONYLDECOXY)PHENYL]SULFANYLPHENOXY]UNDECANOATE
CAS No: 69361-67-7 Catalog No: AG006FU8 MDL No:
Product Description
Catalog Number:
AG006FU8
Chemical Name:
ETHYL 2-[4-[4-(1-ETHOXYCARBONYLDECOXY)PHENYL]SULFANYLPHENOXY]UNDECANOATE
CAS Number:
69361-67-7
Molecular Formula:
C38H58O6S
Molecular Weight:
642.9285
IUPAC Name:
ethyl 2-[4-[4-(1-ethoxy-1-oxoundecan-2-yl)oxyphenyl]sulfanylphenoxy]undecanoate
InChI:
InChI=1S/C38H58O6S/c1-5-9-11-13-15-17-19-21-35(37(39)41-7-3)43-31-23-27-33(28-24-31)45-34-29-25-32(26-30-34)44-36(38(40)42-8-4)22-20-18-16-14-12-10-6-2/h23-30,35-36H,5-22H2,1-4H3
InChI Key:
VOYSPQPHIGQPIC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(C(=O)OCC)Oc1ccc(cc1)Sc1ccc(cc1)OC(C(=O)OCC)CCCCCCCCC
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
642.395g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
642.936g/mol
Monoisotopic Mass:
642.395g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
13.6
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