[(4S,6S,8R,10R,12R)-13-iodanyl-6-methoxy-8-methyl-10-oxidanyl-12-phenylmethoxy-tridecan-4-yl] benzoate

Systemtic Name: [(4S,6S,8R,10R,12R)-13-iodanyl-6-methoxy-8-methyl-10-oxidanyl-12-phenylmethoxy-tridecan-4-yl] benzoate Openeye Name: [(1S,3S,5R,7R,9R)-9-benzyloxy-7-hydroxy-10-iodo-3-methoxy-5-methyl-1-propyl-decyl] benzoate CAS Name: benzoic acid [(4S,6S,8R,10R,12R)-10-hydroxy-13-iodo-6-methoxy-8-methyl-12-phenylmethoxytridecan-4-yl] ester IUPAC Name: [(4S,6S,8R,10R,12R)-10-hydroxy-13-iodo-6-methoxy-8-methyl-12-phenylmethoxytridecan-4-yl] benzoate Traditional Name: benzoic acid [(1S,3S,5R,7R,9R)-9-benzoxy-7-hydroxy-10-iodo-3-methoxy-5-methyl-1-propyl-decyl] ester Formula: C29H41IO5 MolecularWeight: 596.53731

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(CC(C)CC(CC(CI)OCC1=CC=CC=C1)O)OC)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC[C@@H](C[C@H](C[C@H](C)C[C@H](C[C@H](CI)OCC1=CC=CC=C1)O)OC)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C29H41IO5/c1-4-11-26(35-29(32)24-14-9-6-10-15-24)19-27(33-3)17-22(2)16-25(31)18-28(20-30)34-21-23-12-7-5-8-13-23/h5-10,12-15,22,25-28,31H,4,11,16-21H2,1-3H3/t22-,25-,26+,27+,28-/m1/s1