Chemical ID: 4146281

Cc1cc(cc(c1)Oc2coc3cc(ccc3c2=O)OC(=O)c4ccc(c(c4)OC)OC)C
Chemical ID:
4146281
Name [?]:
[3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 3,4-dimethoxybenzoate
SMILES [?]:
Cc1cc(cc(c1)Oc2coc3cc(ccc3c2=O)OC(=O)c4ccc(c(c4)OC)OC)C
InChi [?]:
InChI=1/C26H22O7/c1-15-9-16(2)11-19(10-15)32-24-14-31-22-13-18(6-7-20(22)25(24)27)33-26(28)17-5-8-21(29-3)23(12-17)30-4/h5-14H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,33,32,30,24,15,16,25,3,7,5,28,13,10,2,4,23,14,6,17,26,12,27,9,18,21,19,22,31,29,11,8,20/E:(1,2)(10,11)(15,16)/rA:33nCCCCCCCOCCOCCCCCCCOOCOCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s14;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H22O7
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.1156
Area:685.003
Solvation:-7.00949
Coulombic:-58.0365
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:446.449
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.42
LogP (Chemaxon):5.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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