Chemical ID: 6883834

CCCCCCOc1ccc(cc1)C(=O)Oc2ccc3c(c2)occ(c3=O)Oc4cc(ccc4C)C
Chemical ID:
6883834
Name [?]:
[3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 4-hexoxybenzoate
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)Oc2ccc3c(c2)occ(c3=O)Oc4cc(ccc4C)C
InChi [?]:
InChI=1/C30H30O6/c1-4-5-6-7-16-33-23-12-10-22(11-13-23)30(32)35-24-14-15-25-27(18-24)34-19-28(29(25)31)36-26-17-20(2)8-9-21(26)3/h8-15,17-19H,4-7,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,36,35,2,3,4,5,32,33,10,12,9,13,18,19,6,30,22,24,31,34,11,8,17,20,29,21,25,26,14,27,15,7,23,16,28/E:(10,11)(12,13)/rA:36nCCCCCCOCCCCCCCOOCCCCCCOCCCOOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;d24;s20s25;d26;s25;s28;s29;d30;s31;d32;d29s33;s34;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H30O6
All Atoms:66
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.7608
Area:776.608
Solvation:-4.65438
Coulombic:-53.9203
Bond Count [?]
All:39
Single:27
Double:12
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:486.556
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:8.05
LogP (Chemaxon):7.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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