Chemical ID: 7649104

COc1cc2c(cc1OC)C(=C3C(C2)COC3=O)c4ccc5c(c4)OCO5
Chemical ID:
7649104
Name [?]:
None
SMILES [?]:
COc1cc2c(cc1OC)C(=C3C(C2)COC3=O)c4ccc5c(c4)OCO5
InChi [?]:
InChI=1/C21H18O6/c1-23-16-7-12-5-13-9-25-21(22)20(13)19(14(12)8-17(16)24-2)11-3-4-15-18(6-11)27-10-26-15/h3-4,6-8,13H,5,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,20,21,14,24,4,7,15,26,19,5,13,6,22,3,8,23,11,12,17,18,2,9,16,27,25/rA:27cCOCCCCCCOCCCCCCOCOCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s5s13;s13;s15;s12s16;d17;s11;s19;d20;s21;d22;d19s23;s23;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18O6
All Atoms:45
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:5.27407
Area:535.106
Solvation:-8.10359
Coulombic:-48.0511
Bond Count [?]
All:31
Single:23
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.89
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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