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Chemical ID: 4148708

Cc1cc(cc(c1)Oc2coc3cc(ccc3c2=O)OCC(=O)OCc4ccccc4)C

Chemical ID:

4148708

Name [?]:

benzyl 2-[3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl]oxyacetate

SMILES [?]:

Cc1cc(cc(c1)Oc2coc3cc(ccc3c2=O)OCC(=O)OCc4ccccc4)C

InChi [?]:

InChI=1/C26H22O6/c1-17-10-18(2)12-21(11-17)32-24-15-30-23-13-20(8-9-22(23)26(24)28)29-16-25(27)31-14-19-6-4-3-5-7-19/h3-13,15H,14,16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,32,29,28,30,27,31,15,16,3,7,5,13,25,10,21,2,4,26,14,6,17,12,9,22,18,23,19,20,11,24,8/E:(1,2)(4,5)(6,7)(11,12)(17,18)/rA:32nCCCCCCCOCCOCCCCCCCOOCCOOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s14;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂O₆
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3992
Area:	685.909
Solvation:	-5.74848
Coulombic:	-52.7741

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	430.449
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.69
LogP (Chemaxon):	5.63

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