Chemical ID: 7727729

COc1ccc2c(c1)OC(=Cc3ccc(c(c3)OC)OC(=O)c4ccco4)C2=O
Chemical ID:
7727729
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)OC(=Cc3ccc(c(c3)OC)OC(=O)c4ccco4)C2=O
InChi [?]:
InChI=1/C22H16O7/c1-25-14-6-7-15-18(12-14)28-20(21(15)23)11-13-5-8-16(19(10-13)26-2)29-22(24)17-4-3-9-27-17/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,25,24,13,4,5,14,26,17,11,8,12,3,6,15,23,7,16,10,28,21,29,22,2,18,27,9,20/rA:29nCOCCCCCCOCCCCCCCCOCOCOCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;d21;s21;d23;s24;d25;s23s26;s6s10;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16O7
All Atoms:45
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:8.65739
Area:610.001
Solvation:-6.59262
Coulombic:-59.5339
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.4
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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