6-[3-[1,3-di(tetradecoxy)propan-2-yloxy]-2-oxidanyl-propoxy]-3-methanoyl-2-oxidanyl-benzoic acid

Systemtic Name: 6-[3-[1,3-di(tetradecoxy)propan-2-yloxy]-2-oxidanyl-propoxy]-3-methanoyl-2-oxidanyl-benzoic acid Openeye Name: 3-formyl-2-hydroxy-6-[2-hydroxy-3-[2-tetradecoxy-1-(tetradecoxymethyl)ethoxy]propoxy]benzoic acid CAS Name: 6-[3-[1,3-di(tetradecoxy)propan-2-yloxy]-2-hydroxypropoxy]-3-formyl-2-hydroxybenzoic acid IUPAC Name: 6-[3-[1,3-di(tetradecoxy)propan-2-yloxy]-2-hydroxypropoxy]-3-formyl-2-hydroxybenzoic acid Traditional Name: 3-formyl-2-hydroxy-6-[2-hydroxy-3-[2-myristyloxy-1-(myristyloxymethyl)ethoxy]propoxy]benzoic acid Formula: C42H74O9 MolecularWeight: 723.03156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCC)OCC(COC1=C(C(=C(C=C1)C=O)O)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCC)OCC(COC1=C(C(=C(C=C1)C=O)O)C(=O)O)O

InChI

InChI=1S/C42H74O9/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-48-34-38(35-49-30-26-24-22-20-18-16-14-12-10-8-6-4-2)50-32-37(44)33-51-39-28-27-36(31-43)41(45)40(39)42(46)47/h27-28,31,37-38,44-45H,3-26,29-30,32-35H2,1-2H3,(H,46,47)