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Chemical ID: 4903101

CCOC(=O)c1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)OC(=O)c4ccc(cc4)C)C

Chemical ID:

4903101

Name [?]:

ethyl 4-[2-methyl-7-(4-methylbenzoyl)oxy-4-oxo-chromen-3-yl]oxybenzoate

SMILES [?]:

CCOC(=O)c1ccc(cc1)Oc2c(oc3cc(ccc3c2=O)OC(=O)c4ccc(cc4)C)C

InChi [?]:

InChI=1/C27H22O7/c1-4-31-26(29)18-9-11-20(12-10-18)33-25-17(3)32-23-15-21(13-14-22(23)24(25)28)34-27(30)19-7-5-16(2)6-8-19/h5-15H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,33,34,2,29,31,28,32,7,11,8,10,19,20,17,30,14,6,27,9,18,21,16,22,13,4,25,23,5,26,3,15,12,24/E:(5,6)(7,8)(9,10)(11,12)/rA:34nCCOCOCCCCCCOCCOCCCCCCCOOCOCCCCCCCC/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;s30;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₂O₇
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	13.5273
Area:	709.407
Solvation:	-4.20783
Coulombic:	-65.4303

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	458.459
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	6.02
LogP (Chemaxon):	5.2

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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