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Chemical ID: 4102005

CCOC(=O)c1c(c(=O)c2ccc(cc2o1)OC(=O)c3ccco3)c4ccc5c(c4)OCCO5

Chemical ID:

4102005

Name [?]:

ethyl 3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-7-(2-furylcarbonyloxy)-4-oxo-chromene-2-carboxylate

SMILES [?]:

CCOC(=O)c1c(c(=O)c2ccc(cc2o1)OC(=O)c3ccco3)c4ccc5c(c4)OCCO5

InChi [?]:

InChI=1/C25H18O9/c1-2-29-25(28)23-21(14-5-8-17-20(12-14)32-11-10-31-17)22(26)16-7-6-15(13-19(16)34-23)33-24(27)18-4-3-9-30-18/h3-9,12-13H,2,10-11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,22,21,26,12,11,27,23,33,32,30,14,25,13,10,28,20,15,29,7,8,6,18,4,9,19,5,3,24,34,31,17,16/rA:34nCCOCOCCCOCCCCCCOOCOCCCCOCCCCCCOCCO/rB:s1;s2;s3;d4;s4;d6;s7;d8;s8;s10;d11;s12;d13;d10s14;s6s15;s13;s17;d18;s18;d20;s21;d22;s20s23;s7;s25;d26;s27;d28;d25s29;s29;s31;s32;s28s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₈O₉
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5346
Area:	674.27
Solvation:	-6.32212
Coulombic:	-80.2707

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	462.405
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	3.73
LogP (Chemaxon):	3.0

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