Chemical ID: 6884219

Cc1ccc(c(c1)Oc2coc3cc(ccc3c2=O)OC(=O)COc4ccc(c(c4)C)C)C
Chemical ID:
6884219
Name [?]:
[3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 2-(3,4-dimethylphenoxy)acetate
SMILES [?]:
Cc1ccc(c(c1)Oc2coc3cc(ccc3c2=O)OC(=O)COc4ccc(c(c4)C)C)C
InChi [?]:
InChI=1/C27H24O6/c1-16-5-6-18(3)23(11-16)33-25-14-31-24-13-21(9-10-22(24)27(25)29)32-26(28)15-30-20-8-7-17(2)19(4)12-20/h5-14H,15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,33,31,3,4,27,26,15,16,7,30,13,10,23,2,28,5,29,25,14,17,6,12,9,21,18,22,19,24,11,20,8/rA:33nCCCCCCCOCCOCCCCCCCOOCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s14;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s29;s28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H24O6
All Atoms:57
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.9219
Area:689.856
Solvation:-5.32452
Coulombic:-51.6097
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:444.476
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.94
LogP (Chemaxon):6.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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