[2-azanyloxy-3-[3-(3,4-dioctoxyphenyl)propanoyl]-2-methyl-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl] tetradecanoate

Systemtic Name: [2-azanyloxy-3-[3-(3,4-dioctoxyphenyl)propanoyl]-2-methyl-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl] tetradecanoate Openeye Name: [2-aminooxy-3-[3-(3,4-dioctoxyphenyl)propanoyl]-2-methyl-5-sulfooxy-6-(sulfooxymethyl)tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [2-aminooxy-3-[3-(3,4-dioctoxyphenyl)-1-oxopropyl]-2-methyl-5-sulfooxy-6-(sulfooxymethyl)-4-oxanyl] ester IUPAC Name: [2-aminooxy-3-[3-(3,4-dioctoxyphenyl)propanoyl]-2-methyl-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl] tetradecanoate Traditional Name: myristic acid [2-aminooxy-3-[3-(3,4-dioctoxyphenyl)propanoyl]-2-methyl-5-sulfoxy-6-(sulfoxymethyl)tetrahydropyran-4-yl] ester Formula: C46H81NO15S2 MolecularWeight: 952.26304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1C(=O)CCC2=CC(=C(C=C2)OCCCCCCCC)OCCCCCCCC)(C)ON)COS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1C(=O)CCC2=CC(=C(C=C2)OCCCCCCCC)OCCCCCCCC)(C)ON)COS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C46H81NO15S2/c1-5-8-11-14-17-18-19-20-21-22-25-28-42(49)59-45-43(46(4,62-47)60-41(36-58-63(50,51)52)44(45)61-64(53,54)55)38(48)31-29-37-30-32-39(56-33-26-23-15-12-9-6-2)40(35-37)57-34-27-24-16-13-10-7-3/h30,32,35,41,43-45H,5-29,31,33-34,36,47H2,1-4H3,(H,50,51,52)(H,53,54,55)