[(3S,5R,7R,9R,11R,13R,15R,21R)-5,7,9,11,13,15,21-heptamethoxy-1-oxidanyl-tetracosan-3-yl] benzoate

Systemtic Name: [(3S,5R,7R,9R,11R,13R,15R,21R)-5,7,9,11,13,15,21-heptamethoxy-1-oxidanyl-tetracosan-3-yl] benzoate Openeye Name: [(1S,3R,5R,7R,9R,11R,13R,19R)-1-(2-hydroxyethyl)-3,5,7,9,11,13,19-heptamethoxy-docosyl] benzoate CAS Name: benzoic acid [(3S,5R,7R,9R,11R,13R,15R,21R)-1-hydroxy-5,7,9,11,13,15,21-heptamethoxytetracosan-3-yl] ester IUPAC Name: [(3S,5R,7R,9R,11R,13R,15R,21R)-1-hydroxy-5,7,9,11,13,15,21-heptamethoxytetracosan-3-yl] benzoate Traditional Name: benzoic acid [(1S,3R,5R,7R,9R,11R,13R,19R)-1-(2-hydroxyethyl)-3,5,7,9,11,13,19-heptamethoxy-docosyl] ester Formula: C38H68O10 MolecularWeight: 684.94052

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCCC(CC(CC(CC(CC(CC(CC(CCO)OC(=O)C1=CC=CC=C1)OC)OC)OC)OC)OC)OC)OC

Isomeric SMILES

CCC[C@H](CCCCC[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](CCO)OC(=O)C1=CC=CC=C1)OC)OC)OC)OC)OC)OC)OC

InChI

InChI=1S/C38H68O10/c1-9-16-30(41-2)19-14-11-15-20-31(42-3)23-33(43-4)25-35(45-6)27-37(47-8)28-36(46-7)26-34(44-5)24-32(21-22-39)48-38(40)29-17-12-10-13-18-29/h10,12-13,17-18,30-37,39H,9,11,14-16,19-28H2,1-8H3/t30-,31-,32+,33-,34+,35-,36+,37-/m1/s1