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Chemical ID: 7727729
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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