Chemical ID: 7233382

Cc1cc(c(c(c1)Oc2c(cc(cc2OC)O)C(=O)OC)C(=O)OC)O
Chemical ID:
7233382
Name [?]:
methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonyl-phenoxy)-4-methyl-benzoate
SMILES [?]:
Cc1cc(c(c(c1)Oc2c(cc(cc2OC)O)C(=O)OC)C(=O)OC)O
InChi [?]:
InChI=1/C18H18O8/c1-9-5-12(20)15(18(22)25-4)13(6-9)26-16-11(17(21)24-3)7-10(19)8-14(16)23-2/h5-8,19-20H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,21,25,3,7,11,13,2,12,10,4,6,14,5,9,18,22,17,26,19,23,15,20,24,8/rA:26nCCCCCCCOCCCCCCOCOCOOCCOOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s12;s10;d18;s18;s20;s5;d22;s22;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18O8
All Atoms:44
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:6.27398
Area:552.71
Solvation:-7.54376
Coulombic:-82.7082
Bond Count [?]
All:27
Single:19
Double:8
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.21
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue