Chemical ID: 7722076

CCOc1ccc(cc1OCC)C=C2C(=O)c3cc(ccc3O2)C(=O)OC
Chemical ID:
7722076
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1OCC)C=C2C(=O)c3cc(ccc3O2)C(=O)OC
InChi [?]:
InChI=1/C21H20O6/c1-4-25-17-8-6-13(10-18(17)26-5-2)11-19-20(22)15-12-14(21(23)24-3)7-9-16(15)27-19/h6-12H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,27,2,11,6,20,5,21,8,13,18,7,19,17,22,4,9,14,15,24,16,25,26,3,10,23/rA:27nCCOCCCCCCOCCCCCOCCCCCCOCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;s19;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20O6
All Atoms:47
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:8.66741
Area:595.476
Solvation:-6.21949
Coulombic:-51.3219
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.98
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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