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Chemical ID: 5275462

CCOc1ccccc1Oc2c(oc3cc(ccc3c2=O)OC(=O)c4ccc(cc4)C)C

Chemical ID:

5275462

Name [?]:

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

SMILES [?]:

CCOc1ccccc1Oc2c(oc3cc(ccc3c2=O)OC(=O)c4ccc(cc4)C)C

InChi [?]:

InChI=1/C26H22O6/c1-4-29-21-7-5-6-8-22(21)32-25-17(3)30-23-15-19(13-14-20(23)24(25)27)31-26(28)18-11-9-16(2)10-12-18/h5-15H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,31,32,2,6,7,5,8,27,29,26,30,17,18,15,28,12,25,16,19,4,9,14,20,11,23,21,24,3,13,22,10/E:(9,10)(11,12)/rA:32nCCOCCCCCCOCCOCCCCCCCOOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s16;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.5184
Area:	667.182
Solvation:	-5.16117
Coulombic:	-53.0442

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	430.449
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.73
LogP (Chemaxon):	5.4

Name Annotations

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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