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Chemical ID: 4575795

COc1cccc(c1C(=O)Oc2ccc3c(c2)OC(=Cc4ccc(c(c4)OC)OC)C3=O)OC

Chemical ID:

4575795

Name [?]:

[2-[(3,4-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 2,6-dimethoxybenzoate

SMILES [?]:

COc1cccc(c1C(=O)Oc2ccc3c(c2)OC(=Cc4ccc(c(c4)OC)OC)C3=O)OC

InChi [?]:

InChI=1/C26H22O8/c1-29-18-11-8-15(12-22(18)32-4)13-23-25(27)17-10-9-16(14-21(17)34-23)33-26(28)24-19(30-2)6-5-7-20(24)31-3/h5-14H,1-4H3

InChi Info:

AuxInfo=1/0/N:30,1,34,28,5,4,6,22,13,14,23,26,20,17,21,12,15,24,3,7,16,25,19,8,31,9,32,10,29,2,33,27,11,18/E:(2,3)(6,7)(19,20)(30,31)/rA:34nCOCCCCCCCOOCCCCCCOCCCCCCCCOCOCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s15s19;d31;s7;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂O₈
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	8.64966
Area:	700.305
Solvation:	-8.85798
Coulombic:	-65.3237

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	462.448
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	4.53
LogP (Chemaxon):	3.55

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