Chemical ID: 4895548

CCOC(=O)c1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)OC(=O)C(C)C)C
Chemical ID:
4895548
Name [?]:
ethyl 4-[2-methyl-7-(2-methylpropanoyloxy)-4-oxo-chromen-3-yl]oxybenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)OC(=O)C(C)C)C
InChi [?]:
InChI=1/C23H22O7/c1-5-27-23(26)15-6-8-16(9-7-15)29-21-14(4)28-19-12-17(30-22(25)13(2)3)10-11-18(19)20(21)24/h6-13H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,29,30,2,7,11,8,10,19,20,17,27,14,6,9,18,21,16,22,13,25,4,23,26,5,3,15,12,24/E:(2,3)(6,7)(8,9)/rA:30nCCOCOCCCCCCOCCOCCCCCCCOOCOCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;s15;s16;d17;s18;d19;d16s20;s13s21;d22;s18;s24;d25;s25;s27;s27;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22O7
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.9355
Area:645.904
Solvation:-4.21213
Coulombic:-62.7272
Bond Count [?]
All:32
Single:22
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:410.417
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.41
LogP (Chemaxon):4.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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