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Chemical ID: 5277021

CCOC(=O)c1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)OCc4c(cccc4Cl)Cl)C

Chemical ID:

5277021

Name [?]:

ethyl 4-[7-[(2,6-dichlorophenyl)methoxy]-2-methyl-4-oxo-chromen-3-yl]oxybenzoate

SMILES [?]:

CCOC(=O)c1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)OCc4c(cccc4Cl)Cl)C

InChi [?]:

InChI=1/C26H20Cl2O6/c1-3-31-26(30)16-7-9-17(10-8-16)34-25-15(2)33-23-13-18(11-12-19(23)24(25)29)32-14-20-21(27)5-4-6-22(20)28/h4-13H,3,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,34,2,29,28,30,7,11,8,10,19,20,17,25,14,6,9,18,21,26,27,31,16,22,13,4,33,32,23,5,3,24,15,12/E:(5,6)(7,8)(9,10)(21,22)(27,28)/rA:34nCCOCOCCCCCCOCCOCCCCCCCOOCCCCCCCClClC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;s15;s16;d17;s18;d19;d16s20;s13s21;d22;s18;s24;s25;s26;d27;s28;d29;d26s30;s31;s27;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₀Cl₂O₆
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	13.4089
Area:	727.567
Solvation:	-4.78024
Coulombic:	-53.9232

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	499.339
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.95
LogP (Chemaxon):	6.06

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

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Chemical Mix	Source	External ID	Descriptor	Value