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

Systemtic Name: 5-decyl-2-(1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethoxy)benzoic acid Openeye Name: 5-decyl-2-(1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethoxy)benzoic acid CAS Name: 5-decyl-2-(1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethoxy)benzoic acid IUPAC Name: 5-decyl-2-(1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethoxy)benzoic acid Traditional Name: 5-decyl-2-(1,4,7,10,13,16-hexaoxacyclononadec-8-ylmethoxy)benzoic acid Formula: C31H52O9 MolecularWeight: 568.73918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H52O9/c1-2-3-4-5-6-7-8-9-11-27-12-13-30(29(24-27)31(32)33)40-26-28-25-38-21-20-36-18-16-34-14-10-15-35-17-19-37-22-23-39-28/h12-13,24,28H,2-11,14-23,25-26H2,1H3,(H,32,33)