Chemical ID: 6887493

CCc1ccc(cc1)Oc2coc3cc(ccc3c2=O)OC(=O)C(c4ccccc4)c5ccccc5
Chemical ID:
6887493
Name [?]:
[3-(4-ethylphenoxy)-4-oxo-chromen-7-yl] 2,2-diphenylacetate
SMILES [?]:
CCc1ccc(cc1)Oc2coc3cc(ccc3c2=O)OC(=O)C(c4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C31H24O5/c1-2-21-13-15-24(16-14-21)35-28-20-34-27-19-25(17-18-26(27)30(28)32)36-31(33)29(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-20,29H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,28,34,27,29,33,35,26,30,32,36,4,8,5,7,16,17,14,11,3,25,31,6,15,18,13,10,24,19,22,20,23,12,9,21/E:(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(22,23)/rA:36nCCCCCCCCOCCOCCCCCCCOOCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s24;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H24O5
All Atoms:60
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.7339
Area:723.399
Solvation:-4.35104
Coulombic:-47.3335
Bond Count [?]
All:40
Single:25
Double:15
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:476.519
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.37
LogP (Chemaxon):7.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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