Chemical ID: 4573849

CCOC(=O)COc1ccc2c(c1)OC(=Cc3cc(c(c(c3)OC)OC)OC)C2=O
Chemical ID:
4573849
Name [?]:
ethyl 2-[3-oxo-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-6-yl]oxyacetate
SMILES [?]:
CCOC(=O)COc1ccc2c(c1)OC(=Cc3cc(c(c(c3)OC)OC)OC)C2=O
InChi [?]:
InChI=1/C22H22O8/c1-5-28-20(23)12-29-14-6-7-15-16(11-14)30-17(21(15)24)8-13-9-18(25-2)22(27-4)19(10-13)26-3/h6-11H,5,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,28,26,2,9,10,16,22,18,13,6,17,8,11,12,15,21,19,4,29,20,5,30,23,27,25,3,7,14/E:(2,3)(9,10)(18,19)(25,26)/rA:30nCCOCOCOCCCCCCOCCCCCCCCOCOCOCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s19;s27;s11s15;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22O8
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:7.20505
Area:645.471
Solvation:-8.93173
Coulombic:-64.7827
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:414.405
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.02
LogP (Chemaxon):2.24

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Descriptor Annotations

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