[2-(hydroxymethyl)-5-[2-(9-naphthalen-1-ylnonanoyloxy)tetradecanoylamino]-6-oxidanyl-3-sulfooxy-oxan-4-yl] 9-naphthalen-1-ylnonanoate

Systemtic Name: [2-(hydroxymethyl)-5-[2-(9-naphthalen-1-ylnonanoyloxy)tetradecanoylamino]-6-oxidanyl-3-sulfooxy-oxan-4-yl] 9-naphthalen-1-ylnonanoate Openeye Name: [2-hydroxy-6-(hydroxymethyl)-3-[2-[9-(1-naphthyl)nonanoyloxy]tetradecanoylamino]-5-sulfooxy-tetrahydropyran-4-yl] 9-(1-naphthyl)nonanoate CAS Name: 9-(1-naphthalenyl)nonanoic acid [2-hydroxy-6-(hydroxymethyl)-3-[[2-[9-(1-naphthalenyl)-1-oxononoxy]-1-oxotetradecyl]amino]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-hydroxy-6-(hydroxymethyl)-3-[2-(9-naphthalen-1-ylnonanoyloxy)tetradecanoylamino]-5-sulfooxyoxan-4-yl] 9-naphthalen-1-ylnonanoate Traditional Name: 9-(1-naphthyl)pelargonic acid [2-hydroxy-6-methylol-3-[2-[9-(1-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=CC=CC3=CC=CC=C32)OC(=O)CCCCCCCCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC2=CC=CC3=CC=CC=C32)OC(=O)CCCCCCCCC4=CC=CC5=CC=CC=C54

InChI

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