Chemical ID: 3966155

c1cc2c(c(c1)OCC(COc3cccc4c3c(=O)cc(o4)C(=O)[O-])O)c(=O)cc(o2)C(=O)[O-]
Chemical ID:
3966155
Name [?]:
5-[3-(2-carboxylato-4-oxo-chromen-5-yl)oxy-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate
SMILES [?]:
c1cc2c(c(c1)OCC(COc3cccc4c3c(=O)cc(o4)C(=O)[O-])O)c(=O)cc(o2)C(=O)[O-]
InChi [?]:
InChI=1/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)/p-2
InChi Info:
AuxInfo=1/1/N:1,14,6,13,2,15,29,20,8,10,9,27,18,5,12,3,16,30,21,4,17,32,23,26,28,19,33,34,24,25,7,11,31,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(25,26)(27,28,29,30)(31,32)(33,34)/gE:(1,2)/rA:34nCCCCCCOCCCOCCCCCCCOCCOCOO-OCOCCOCOO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;d20;s16s21;s21;d23;s23;s9;s4;d27;s27;d29;s3s30;s30;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H14O11-2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:-85.2877
Area:685.746
Solvation:-102.431
Coulombic:-54.0998
Bond Count [?]
All:37
Single:25
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:466.351
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:0.6
LogP (Chemaxon):1.85

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