[(3R,5R,7R,9R,11R,13R,15R,21R)-5,7,9,11,13,15,21-heptamethoxytetracos-1-en-3-yl] benzoate

Systemtic Name: [(3R,5R,7R,9R,11R,13R,15R,21R)-5,7,9,11,13,15,21-heptamethoxytetracos-1-en-3-yl] benzoate Openeye Name: [(1R,3R,5R,7R,9R,11R,13R,19R)-3,5,7,9,11,13,19-heptamethoxy-1-vinyl-docosyl] benzoate CAS Name: benzoic acid [(3R,5R,7R,9R,11R,13R,15R,21R)-5,7,9,11,13,15,21-heptamethoxytetracos-1-en-3-yl] ester IUPAC Name: [(3R,5R,7R,9R,11R,13R,15R,21R)-5,7,9,11,13,15,21-heptamethoxytetracos-1-en-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(2R,4R,6R,8R,10R,12R,18R)-2,4,6,8,10,12,18-heptamethoxyheneicosyl]allyl] ester Formula: C38H66O9 MolecularWeight: 666.92524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCCC(CC(CC(CC(CC(CC(CC(C=C)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](C=C)OC(=O)C1=CC=CC=C1)OC)OC)OC)OC)OC)OC)OC

InChI

InChI=1S/C38H66O9/c1-10-18-31(40-3)21-16-13-17-22-32(41-4)24-34(43-6)26-36(45-8)28-37(46-9)27-35(44-7)25-33(42-5)23-30(11-2)47-38(39)29-19-14-12-15-20-29/h11-12,14-15,19-20,30-37H,2,10,13,16-18,21-28H2,1,3-9H3/t30-,31+,32+,33-,34+,35-,36+,37-/m0/s1