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Chemical ID: 7048065

CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OC(=O)c4c(cccc4OC)OC

Chemical ID:

7048065

Name [?]:

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

SMILES [?]:

CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OC(=O)c4c(cccc4OC)OC

InChi [?]:

InChI=1/C26H22O7/c1-4-31-19-9-6-5-8-16(19)14-23-25(27)18-13-12-17(15-22(18)33-23)32-26(28)24-20(29-2)10-7-11-21(24)30-3/h5-15H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,31,33,2,7,6,27,8,5,28,26,16,15,10,18,9,17,14,4,29,25,19,11,24,12,22,13,23,30,32,3,21,20/E:(2,3)(10,11)(20,21)(29,30)/rA:33nCCOCCCCCCCCCOCCCCCCOOCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;s30;s25;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂O₇
All Atoms:	55
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6817
Area:	689.446
Solvation:	-6.55443
Coulombic:	-59.769

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	446.449
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	5.3
LogP (Chemaxon):	4.15

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