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Chemical ID: 6875855

CCc1ccccc1Oc2coc3cc(ccc3c2=O)OC(=O)c4c(cccc4OC)OC

Chemical ID:

6875855

Name [?]:

[3-(2-ethylphenoxy)-4-oxo-chromen-7-yl] 2,6-dimethoxybenzoate

SMILES [?]:

CCc1ccccc1Oc2coc3cc(ccc3c2=O)OC(=O)c4c(cccc4OC)OC

InChi [?]:

InChI=1/C26H22O7/c1-4-16-8-5-6-9-19(16)33-23-15-31-22-14-17(12-13-18(22)25(23)27)32-26(28)24-20(29-2)10-7-11-21(24)30-3/h5-15H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,31,33,2,5,6,27,4,7,28,26,16,17,14,11,3,15,18,8,29,25,13,10,24,19,22,20,23,30,32,12,21,9/E:(2,3)(10,11)(20,21)(29,30)/rA:33nCCCCCCCCOCCOCCCCCCCOOCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;s30;s25;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂O₇
All Atoms:	55
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5033
Area:	671.611
Solvation:	-6.28699
Coulombic:	-59.3576

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	446.449
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.51
LogP (Chemaxon):	5.19

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