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Chemical ID: 6143406

Cc1cc(=O)oc2c1ccc(c2)OC(=O)COc3ccc4c(c3)occ(c4=O)Oc5ccccc5

Chemical ID:

6143406

Name [?]:

(4-methyl-2-oxo-chromen-7-yl) 2-(4-oxo-3-phenoxy-chromen-7-yl)oxyacetate

SMILES [?]:

Cc1cc(=O)oc2c1ccc(c2)OC(=O)COc3ccc4c(c3)occ(c4=O)Oc5ccccc5

InChi [?]:

InChI=1/C27H18O8/c1-16-11-25(28)35-23-13-19(8-9-20(16)23)34-26(29)15-31-18-7-10-21-22(12-18)32-14-24(27(21)30)33-17-5-3-2-4-6-17/h2-14H,15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,33,32,34,31,35,19,10,9,20,3,23,12,25,16,2,30,18,11,8,21,22,7,26,4,14,27,5,15,28,17,24,29,13,6/E:(3,4)(5,6)/rA:35nCCCCOOCCCCCCOCOCOCCCCCCOCCCOOCCCCCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s24;d25;s21s26;d27;s26;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₁₈O₈
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5987
Area:	702.769
Solvation:	-6.97052
Coulombic:	-69.1175

Bond Count [?]

All:	39
Single:	25
Double:	14
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	470.427
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.51
LogP (Chemaxon):	5.14

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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