methyl 5-[6-(3-methoxycarbonyl-4-oxidanyl-phenoxy)hexa-2,4-diynoxy]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[6-(3-methoxycarbonyl-4-oxidanyl-phenoxy)hexa-2,4-diynoxy]-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-[6-(4-hydroxy-3-methoxycarbonyl-phenoxy)hexa-2,4-diynoxy]benzoate CAS Name: 2-hydroxy-5-[6-(4-hydroxy-3-methoxycarbonylphenoxy)hexa-2,4-diynoxy]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[6-(4-hydroxy-3-methoxycarbonylphenoxy)hexa-2,4-diynoxy]benzoate Traditional Name: 5-[6-(3-carbomethoxy-4-hydroxy-phenoxy)hexa-2,4-diynoxy]-2-hydroxy-benzoic acid methyl ester Formula: C22H18O8 MolecularWeight: 410.37352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)OCC#CC#CCOC2=CC(=C(C=C2)O)C(=O)OC)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)OCC#CC#CCOC2=CC(=C(C=C2)O)C(=O)OC)O

InChI

InChI=1S/C22H18O8/c1-27-21(25)17-13-15(7-9-19(17)23)29-11-5-3-4-6-12-30-16-8-10-20(24)18(14-16)22(26)28-2/h7-10,13-14,23-24H,11-12H2,1-2H3