[14-[[6-(hydroxymethyl)-4-(9-naphthalen-1-ylnonanoyloxy)-2-oxidanyl-5-sulfooxy-oxan-3-yl]amino]-14-oxidanylidene-tetradecyl] 9-naphthalen-1-ylnonanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCCCCCCCC(=O)OCCCCCCCCCCCCCC(=O)NC3C(C(C(OC3O)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCCCCCCCC(=O)OCCCCCCCCCCCCCC(=O)NC3C(C(C(OC3O)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C58H83NO12S/c60-44-51-56(71-72(65,66)67)57(70-54(63)42-22-16-10-8-13-19-31-46-35-29-37-48-33-24-26-39-50(46)48)55(58(64)69-51)59-52(61)40-20-14-6-4-2-1-3-5-11-17-27-43-68-53(62)41-21-15-9-7-12-18-30-45-34-28-36-47-32-23-25-38-49(45)47/h23-26,28-29,32-39,51,55-58,60,64H,1-22,27,30-31,40-44H2,(H,59,61)(H,65,66,67)