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Chemical ID: 4896422

CCOc1ccccc1Oc2coc3cc(ccc3c2=O)OCc4ccc(cc4)C(=O)OC

Chemical ID:

4896422

Name [?]:

methyl 4-[[3-(2-ethoxyphenoxy)-4-oxo-chromen-7-yl]oxymethyl]benzoate

SMILES [?]:

CCOc1ccccc1Oc2coc3cc(ccc3c2=O)OCc4ccc(cc4)C(=O)OC

InChi [?]:

InChI=1/C26H22O7/c1-3-30-21-6-4-5-7-22(21)33-24-16-32-23-14-19(12-13-20(23)25(24)27)31-15-17-8-10-18(11-9-17)26(28)29-2/h4-14,16H,3,15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,33,2,6,7,5,8,25,29,26,28,17,18,15,23,12,24,27,16,19,4,9,14,11,20,30,21,31,32,3,22,13,10/E:(8,9)(10,11)/rA:33nCCOCCCCCCOCCOCCCCCCCOOCCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s16;s22;s23;s24;d25;s26;d27;d24s28;s27;d30;s30;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.3568
Area:	695.83
Solvation:	-7.03898
Coulombic:	-60.0552

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	446.449
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.12
LogP (Chemaxon):	4.76

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