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Chemical ID: 6879654

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)c4cc5ccccc5oc4=O

Chemical ID:

6879654

Name [?]:

[2-(4-methoxyphenyl)-6-methyl-4-oxo-chromen-3-yl] 2-oxochromene-3-carboxylate

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)c4cc5ccccc5oc4=O

InChi [?]:

InChI=1/C27H18O7/c1-15-7-12-22-19(13-15)23(28)25(24(32-22)16-8-10-18(31-2)11-9-16)34-27(30)20-14-17-5-3-4-6-21(17)33-26(20)29/h3-14H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,28,29,27,30,3,14,18,15,17,4,7,25,2,13,26,16,6,24,31,5,8,11,10,33,22,9,34,23,19,12,32,21/E:(8,9)(10,11)/rA:34nCCCCCCCCOCCOCCCCCCOCOCOCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;d22;s22;d24;s25;s26;d27;s28;d29;d26s30;s31;s24s32;d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₁₈O₇
All Atoms:	52
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7018
Area:	657.832
Solvation:	-5.74395
Coulombic:	-63.3807

Bond Count [?]

All:	38
Single:	24
Double:	14
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	454.428
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.48
LogP (Chemaxon):	5.13

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