S-phenyl (E,2R,3R,4R,5R)-2-methoxy-8-methyl-3-oxidanyl-4,5-bis(phenylmethoxy)non-6-enethioate

Systemtic Name: S-phenyl (E,2R,3R,4R,5R)-2-methoxy-8-methyl-3-oxidanyl-4,5-bis(phenylmethoxy)non-6-enethioate Openeye Name: S-phenyl (E,2R,3R,4R,5R)-4,5-dibenzyloxy-3-hydroxy-2-methoxy-8-methyl-non-6-enethioate CAS Name: (E,2R,3R,4R,5R)-3-hydroxy-2-methoxy-8-methyl-4,5-bis(phenylmethoxy)-6-nonenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E,2R,3R,4R,5R)-3-hydroxy-2-methoxy-8-methyl-4,5-bis(phenylmethoxy)non-6-enethioate Traditional Name: (E,2R,3R,4R,5R)-4,5-dibenzoxy-3-hydroxy-2-methoxy-8-methyl-non-6-enethioic acid S-phenyl ester Formula: C31H36O5S MolecularWeight: 520.67954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC(C(C(C(C(=O)SC1=CC=CC=C1)OC)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)SC1=CC=CC=C1)OC)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C31H36O5S/c1-23(2)19-20-27(35-21-24-13-7-4-8-14-24)29(36-22-25-15-9-5-10-16-25)28(32)30(34-3)31(33)37-26-17-11-6-12-18-26/h4-20,23,27-30,32H,21-22H2,1-3H3/b20-19+/t27-,28-,29+,30-/m1/s1