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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCCCCCCCC(=O)OCCCCCCCCCCCCCC(=O)NC3C(C(C(OC3O)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)NC3C(C(C(OC3O)CO)OS(=O)(=O)O)OC(=O)CCCCCCCCC4=CC5=CC=CC=C5C=C4

InChI

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