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Chemical ID: 7645864

c1ccc2c(c1)C(=O)OC23c4ccc(c(c4Oc5c3ccc(c5I)[O-])I)[O-]

Chemical ID:

7645864

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)C(=O)OC23c4ccc(c(c4Oc5c3ccc(c5I)[O-])I)[O-]

InChi [?]:

InChI=1/C20H10I2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H/p-2

InChi Info:

AuxInfo=1/1/N:1,2,6,3,12,20,13,21,5,4,11,19,14,22,15,23,16,18,7,10,26,24,27,25,8,17,9/E:(5,6)(7,8)(11,12)(13,14)(15,16)(17,18)(21,22)(23,24)/rA:27cCCCCCCCOOCCCCCCCOCCCCCCIO-IO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s10s18;d19;s20;d21;d18s22;s23;s22;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₈I₂O_5-2
All Atoms:	35
Heavy Atoms:	27
Chiral Atoms:	None

ZAP Information [?]

Total:	-90.0406
Area:	549.711
Solvation:	-103.783
Coulombic:	18.6764

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	0
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.55
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value