methyl 5-decyl-2-(1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethoxy)benzoate

Systemtic Name: methyl 5-decyl-2-(1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethoxy)benzoate Openeye Name: methyl 5-decyl-2-(1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethoxy)benzoate CAS Name: 5-decyl-2-(1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethoxy)benzoic acid methyl ester IUPAC Name: methyl 5-decyl-2-(1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethoxy)benzoate Traditional Name: 5-decyl-2-(1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethoxy)benzoic acid methyl ester Formula: C32H54O9 MolecularWeight: 582.76576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)OCC2COCCOCCOCCCOCCOCCO2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)OCC2COCCOCCOCCCOCCOCCO2)C(=O)OC

InChI

InChI=1S/C32H54O9/c1-3-4-5-6-7-8-9-10-12-28-13-14-31(30(25-28)32(33)34-2)41-27-29-26-39-22-21-37-19-17-35-15-11-16-36-18-20-38-23-24-40-29/h13-14,25,29H,3-12,15-24,26-27H2,1-2H3