Chemical ID: 4575420

COc1cccc(c1C(=O)Oc2ccc3c(c2)OC(=Cc4cc(c(c(c4)OC)OC)OC)C3=O)OC
Chemical ID:
4575420
Name [?]:
[3-oxo-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-6-yl] 2,6-dimethoxybenzoate
SMILES [?]:
COc1cccc(c1C(=O)Oc2ccc3c(c2)OC(=Cc4cc(c(c(c4)OC)OC)OC)C3=O)OC
InChi [?]:
InChI=1/C27H24O9/c1-30-18-7-6-8-19(31-2)24(18)27(29)35-16-9-10-17-20(14-16)36-21(25(17)28)11-15-12-22(32-3)26(34-5)23(13-15)33-4/h6-14H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,36,28,32,30,5,4,6,13,14,20,26,22,17,21,12,15,3,7,16,19,25,23,8,33,24,9,34,10,2,35,27,31,29,11,18/E:(1,2)(3,4)(7,8)(12,13)(18,19)(22,23)(30,31)(32,33)/rA:36nCOCCCCCCCOOCCCCCCOCCCCCCCCOCOCOCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s23;s31;s15s19;d33;s7;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H24O9
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:8.42074
Area:724.693
Solvation:-9.69658
Coulombic:-72.8792
Bond Count [?]
All:39
Single:27
Double:12
Rotors:9
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:492.474
H-Bond Donors:0
H-Bond Acceptors:9
XLogP:4.31
LogP (Chemaxon):3.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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