Chemical ID: 7609265

Cc1cc(=O)c(=CO)c2=c1c(=O)oc-3c(c(=O)c(=C(O)O)c(c3o2)C)COC(=O)C=CC(=O)O
Chemical ID:
7609265
Name [?]:
None
SMILES [?]:
Cc1cc(=O)c(=CO)c2=c1c(=O)oc-3c(c(=O)c(=C(O)O)c(c3o2)C)COC(=O)C=CC(=O)O
InChi [?]:
InChI=1/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,23,29-30H,7H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,25,31,30,3,7,26,2,22,6,15,4,32,28,10,18,16,23,9,14,19,11,8,5,33,34,29,17,20,21,12,27,24,13/E:(25,26)(29,30)/rA:34nCCCCOCCOCCCOOCCCOCCOOCCOCCOCOCCCOO/rB:s1;d2;s3;d4;s4;w6;s7;s6;s2d9;s10;d11;s11;s13;d14;s15;d16;s16;d18;s19;s19;s18;s14d22;s9s23;s22;s15;s26;s27;d28;s28;w30;s31;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16O12
All Atoms:50
Heavy Atoms:34
Chiral Atoms:None
ZAP Information [?]
Total:6.4381
Area:644.113
Solvation:-9.66473
Coulombic:-131.017
Bond Count [?]
All:36
Single:24
Double:12
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.44
LogP (Chemaxon):None

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Descriptor Annotations

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