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Chemical ID: 7654217
Chemical ID:
7654217
Name [?]:
None
SMILES [?]:
c1cc2c(c3c1cc4c(c3c5ccc6c(c5)OCO6)COC4=O)OCO2
InChi [?]:
InChI=1/C20H12O6/c21-20-12-5-10-2-4-15-19(26-9-24-15)18(10)17(13(12)7-22-20)11-1-3-14-16(6-11)25-8-23-14/h1-6H,7-9H2
InChi Info:
AuxInfo=1/0/N:12,1,13,2,7,16,20,18,25,6,11,8,9,14,3,15,10,5,4,22,23,21,19,26,17,24/rA:26nCCCCCCCCCCCCCCCCOCOCOCOOCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s5d9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;s9;s20;s8s21;d22;s4;s24;s3s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H12O6 |
All Atoms: | 38 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.96554 |
Area: | 495.972 |
Solvation: | -5.43376 |
Coulombic: | -51.9515 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.37 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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