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Chemical ID: 7727728
Chemical ID:
7727728
Name [?]:
None
SMILES [?]:
CCOC(=O)COc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC
InChi [?]:
InChI=1/C20H18O6/c1-3-24-19(21)12-25-14-6-4-13(5-7-14)10-18-20(22)16-9-8-15(23-2)11-17(16)26-18/h4-11H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,10,12,9,13,20,19,14,22,6,11,8,21,18,23,15,4,16,5,17,25,3,7,24/E:(4,5)(6,7)/rA:26nCCOCOCOCCCCCCCCCOCCCCCCOOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;w14;s15;d16;s16;s18;d19;s20;d21;d18s22;s15s23;s21;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18O6 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.07917 |
Area: | 591.315 |
Solvation: | -5.70371 |
Coulombic: | -51.443 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.59 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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