[14-[2-azanyloxy-6-(hydroxymethyl)-4-(9-naphthalen-2-ylnonanoyloxy)-5-sulfooxy-oxan-3-yl]-14-oxidanylidene-tetradecyl] 9-naphthalen-2-ylnonanoate

Systemtic Name: [14-[2-azanyloxy-6-(hydroxymethyl)-4-(9-naphthalen-2-ylnonanoyloxy)-5-sulfooxy-oxan-3-yl]-14-oxidanylidene-tetradecyl] 9-naphthalen-2-ylnonanoate Openeye Name: [14-[2-aminooxy-6-(hydroxymethyl)-4-[9-(2-naphthyl)nonanoyloxy]-5-sulfooxy-tetrahydropyran-3-yl]-14-oxo-tetradecyl] 9-(2-naphthyl)nonanoate CAS Name: 9-(2-naphthalenyl)nonanoic acid [14-[2-aminooxy-6-(hydroxymethyl)-4-[9-(2-naphthalenyl)-1-oxononoxy]-5-sulfooxy-3-oxanyl]-14-oxotetradecyl] ester IUPAC Name: [14-[2-aminooxy-6-(hydroxymethyl)-4-(9-naphthalen-2-ylnonanoyloxy)-5-sulfooxyoxan-3-yl]-14-oxotetradecyl] 9-naphthalen-2-ylnonanoate Traditional Name: 9-(2-naphthyl)pelargonic acid [14-[2-aminooxy-6-methylol-4-[9-(2-naphthyl)nonanoyloxy]-5-sulfoxy-tetrahydropyran-3-yl]-14-keto-tetradecyl] ester Formula: C58H83NO12S MolecularWeight: 1018.34412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCCCCCCCC(=O)OCCCCCCCCCCCCCC(=O)C3C(C(C(OC3ON)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCCCCCCCC(=O)OCCCCCCCCCCCCCC(=O)C3C(C(C(OC3ON)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C58H83NO12S/c59-70-58-55(57(56(52(44-60)68-58)71-72(64,65)66)69-54(63)36-22-16-10-8-13-19-29-46-38-40-48-31-24-26-33-50(48)43-46)51(61)34-20-14-6-4-2-1-3-5-11-17-27-41-67-53(62)35-21-15-9-7-12-18-28-45-37-39-47-30-23-25-32-49(47)42-45/h23-26,30-33,37-40,42-43,52,55-58,60H,1-22,27-29,34-36,41,44,59H2,(H,64,65,66)