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Chemical ID: 7623606

CCOC(=O)c1c[nH]c2c(c1=O)ccc3c2[nH]cc(c3=O)C(=O)OCC

Chemical ID:

7623606

Name [?]:

None

SMILES [?]:

CCOC(=O)c1c[nH]c2c(c1=O)ccc3c2[nH]cc(c3=O)C(=O)OCC

InChi [?]:

InChI=1/C18H16N2O6/c1-3-25-17(23)11-7-19-13-9(15(11)21)5-6-10-14(13)20-8-12(16(10)22)18(24)26-4-2/h5-8H,3-4H2,1-2H3,(H,19,21)(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,26,2,25,13,14,7,18,10,15,6,19,9,16,11,20,4,22,8,17,12,21,5,23,3,24/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/gE:(1,2)/rA:26nCCOCOCCNCCCOCCCCNCCCOCOOCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s6s10;d11;d10;s13;d14;d9s15;s16;s17;d18;s15s19;d20;s19;d22;s22;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₆N₂O₆
All Atoms:	42
Heavy Atoms:	26
Chiral Atoms:	None

ZAP Information [?]

Total:	8.98764
Area:	561.312
Solvation:	-5.04517
Coulombic:	-75.5779

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.11
LogP (Chemaxon):	None

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