[2-(hydroxymethyl)-5-[2-(9-naphthalen-2-ylnonanoyloxy)tetradecanoylamino]-6-oxidanyl-3-sulfooxy-oxan-4-yl] 9-naphthalen-2-ylnonanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC2=CC3=CC=CC=C3C=C2)OC(=O)CCCCCCCCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC2=CC3=CC=CC=C3C=C2)OC(=O)CCCCCCCCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C58H83NO12S/c1-2-3-4-5-6-7-8-9-16-21-34-50(68-52(61)35-22-17-12-10-14-19-28-44-37-39-46-30-24-26-32-48(46)41-44)57(63)59-54-56(55(71-72(65,66)67)51(43-60)69-58(54)64)70-53(62)36-23-18-13-11-15-20-29-45-38-40-47-31-25-27-33-49(47)42-45/h24-27,30-33,37-42,50-51,54-56,58,60,64H,2-23,28-29,34-36,43H2,1H3,(H,59,63)(H,65,66,67)