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Chemical ID: 6847315

Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OCC(=O)c4ccc5c(c4)OCCO5

Chemical ID:

6847315

Name [?]:

3-[2-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-2-oxo-ethoxy]-5,7-dimethyl-2-(p-tolyl)chromen-4-one

SMILES [?]:

Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OCC(=O)c4ccc5c(c4)OCCO5

InChi [?]:

InChI=1/C28H24O6/c1-16-4-6-19(7-5-16)27-28(26(30)25-18(3)12-17(2)13-24(25)34-27)33-15-21(29)20-8-9-22-23(14-20)32-11-10-31-22/h4-9,12-14H,10-11,15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,19,20,3,7,4,6,26,27,33,32,14,16,30,22,2,15,13,5,25,23,28,29,17,12,10,8,9,24,11,34,31,21,18/E:(4,5)(6,7)/rA:34nCCCCCCCCCCOCCCCCCOCCOCCOCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s15;s13;s9;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;s31;s32;s28s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄O₆
All Atoms:	58
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4992
Area:	677.187
Solvation:	-6.43051
Coulombic:	-50.5713

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	456.487
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.13
LogP (Chemaxon):	5.15

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

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Chemical Mix	Source	External ID	Descriptor	Value