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Chemical ID: 4902207

CCOC(=O)c1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)OC(=O)c4c(cccc4OC)OC)C

Chemical ID:

4902207

Name [?]:

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

SMILES [?]:

CCOC(=O)c1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)OC(=O)c4c(cccc4OC)OC)C

InChi [?]:

InChI=1/C28H24O9/c1-5-34-27(30)17-9-11-18(12-10-17)36-26-16(2)35-23-15-19(13-14-20(23)25(26)29)37-28(31)24-21(32-3)7-6-8-22(24)33-4/h6-15H,5H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,37,34,36,2,30,31,29,7,11,8,10,19,20,17,14,6,9,18,21,32,28,16,27,22,13,4,25,23,5,26,33,35,3,15,12,24/E:(3,4)(7,8)(9,10)(11,12)(21,22)(32,33)/rA:37nCCOCOCCCCCCOCCOCCCCCCCOOCOCCCCCCOCOCC/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;d25;s25;s27;d28;s29;d30;d27s31;s32;s33;s28;s35;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄O₉
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7013
Area:	751.842
Solvation:	-7.09473
Coulombic:	-78.1688

Bond Count [?]

All:	40
Single:	27
Double:	13
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	504.485
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	5.41
LogP (Chemaxon):	4.23

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value