Chemical ID: 4561064

CCc1cc2c(cc1OC)oc(=O)c(c2OC(=O)CC)c3ccc(o3)C(=O)OCC
Chemical ID:
4561064
Name [?]:
ethyl 5-(6-ethyl-7-methoxy-2-oxo-4-propanoyloxy-chromen-3-yl)furan-2-carboxylate
SMILES [?]:
CCc1cc2c(cc1OC)oc(=O)c(c2OC(=O)CC)c3ccc(o3)C(=O)OCC
InChi [?]:
InChI=1/C22H22O8/c1-5-12-10-13-17(11-16(12)26-4)29-22(25)19(20(13)30-18(23)6-2)14-8-9-15(28-14)21(24)27-7-3/h8-11H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,30,10,2,19,29,22,23,4,7,3,5,21,24,8,6,17,14,15,26,12,18,27,13,9,28,25,11,16/rA:30nCCCCCCCCOCOCOCCOCOCCCCCCOCOOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s5d14;s15;s16;d17;s17;s19;s14;d21;s22;d23;s21s24;s24;d26;s26;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22O8
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.8893
Area:642.637
Solvation:-5.17664
Coulombic:-71.4405
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:414.405
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.67
LogP (Chemaxon):3.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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