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

Systemtic Name: [2-azanyloxy-3-[3-(3,4-dioctoxyphenyl)propanoyl]-6-(hydroxymethyl)-5-sulfooxy-oxan-4-yl] tetradecanoate Openeye Name: [2-aminooxy-3-[3-(3,4-dioctoxyphenyl)propanoyl]-6-(hydroxymethyl)-5-sulfooxy-tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [2-aminooxy-3-[3-(3,4-dioctoxyphenyl)-1-oxopropyl]-6-(hydroxymethyl)-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-3-[3-(3,4-dioctoxyphenyl)propanoyl]-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl] tetradecanoate Traditional Name: myristic acid [2-aminooxy-3-[3-(3,4-dioctoxyphenyl)propanoyl]-6-methylol-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C45H79NO12S MolecularWeight: 858.17326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1OS(=O)(=O)O)CO)ON)C(=O)CCC2=CC(=C(C=C2)OCCCCCCCC)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1OS(=O)(=O)O)CO)ON)C(=O)CCC2=CC(=C(C=C2)OCCCCCCCC)OCCCCCCCC

InChI

InChI=1S/C45H79NO12S/c1-4-7-10-13-16-17-18-19-20-21-24-27-41(49)56-44-42(45(57-46)55-40(35-47)43(44)58-59(50,51)52)37(48)30-28-36-29-31-38(53-32-25-22-14-11-8-5-2)39(34-36)54-33-26-23-15-12-9-6-3/h29,31,34,40,42-45,47H,4-28,30,32-33,35,46H2,1-3H3,(H,50,51,52)