Chemical ID: 7727562

CCOc1ccc2c(c1)OC(=Cc3ccc(c(c3)OC)OCC(=O)OC)C2=O
Chemical ID:
7727562
Name [?]:
None
SMILES [?]:
CCOc1ccc2c(c1)OC(=Cc3ccc(c(c3)OC)OCC(=O)OC)C2=O
InChi [?]:
InChI=1/C21H20O7/c1-4-26-14-6-7-15-17(11-14)28-19(21(15)23)10-13-5-8-16(18(9-13)24-2)27-12-20(22)25-3/h5-11H,4,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,26,2,14,5,6,15,18,12,9,22,13,4,7,16,8,17,11,23,27,24,28,19,25,3,21,10/rA:28nCCOCCCCCCOCCCCCCCCOCOCCOOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s22;d23;s23;s25;s7s11;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20O7
All Atoms:48
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:7.66079
Area:623.861
Solvation:-7.93573
Coulombic:-57.2952
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.23
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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