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Chemical ID: 5840394

CCCCCCOc1ccc(cc1[N+](=O)[O-])c2ccc(c(c2)[N+](=O)[O-])OCCCCCC

Chemical ID:

5840394

Name [?]:

1-hexoxy-4-(4-hexoxy-3-nitro-phenyl)-2-nitro-benzene

SMILES [?]:

CCCCCCOc1ccc(cc1[N+](=O)[O-])c2ccc(c(c2)[N+](=O)[O-])OCCCCCC

InChi [?]:

InChI=1/C24H32N2O6/c1-3-5-7-9-15-31-23-13-11-19(17-21(23)25(27)28)20-12-14-24(22(18-20)26(29)30)32-16-10-8-6-4-2/h11-14,17-18H,3-10,15-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,32,2,31,3,30,4,29,5,28,10,18,9,19,6,27,12,22,11,17,13,21,8,20,14,23,15,16,24,25,7,26/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)(27,28,29,30)(31,32)/CRV:25.5,26.5/rA:32nCCCCCCOCCCCCCN+OO-CCCCCCN+OO-OCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s11;s17;d18;s19;d20;d17s21;s21;d23;s23;s20;s26;s27;s28;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₂N₂O₆
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	0.185558
Area:	750.2
Solvation:	-18.5694
Coulombic:	-36.6902

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	444.521
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	8.31
LogP (Chemaxon):	7.13

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