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Chemical ID: 6882859

CCc1ccccc1Oc2coc3cc(ccc3c2=O)OC(=O)COc4ccc(c(c4)C)C

Chemical ID:

6882859

Name [?]:

[3-(2-ethylphenoxy)-4-oxo-chromen-7-yl] 2-(3,4-dimethylphenoxy)acetate

SMILES [?]:

CCc1ccccc1Oc2coc3cc(ccc3c2=O)OC(=O)COc4ccc(c(c4)C)C

InChi [?]:

InChI=1/C27H24O6/c1-4-19-7-5-6-8-23(19)33-25-15-31-24-14-21(11-12-22(24)27(25)29)32-26(28)16-30-20-10-9-17(2)18(3)13-20/h5-15H,4,16H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,33,32,2,5,6,4,7,28,27,16,17,31,14,11,24,29,30,3,26,15,18,8,13,10,22,19,23,20,25,12,21,9/rA:33nCCCCCCCCOCCOCCCCCCCOOCOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄O₆
All Atoms:	57
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9504
Area:	689.371
Solvation:	-5.28392
Coulombic:	-52.1657

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	444.476
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.96
LogP (Chemaxon):	6.4

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