methyl (3S,5S)-6-(1,3-dithian-2-yl)-6-methyl-3-oxidanyl-5-phenylmethoxy-heptanoate

Systemtic Name: methyl (3S,5S)-6-(1,3-dithian-2-yl)-6-methyl-3-oxidanyl-5-phenylmethoxy-heptanoate Openeye Name: methyl (3S,5S)-5-benzyloxy-6-(1,3-dithian-2-yl)-3-hydroxy-6-methyl-heptanoate CAS Name: (3S,5S)-6-(1,3-dithian-2-yl)-3-hydroxy-6-methyl-5-phenylmethoxyheptanoic acid methyl ester IUPAC Name: methyl (3S,5S)-6-(1,3-dithian-2-yl)-3-hydroxy-6-methyl-5-phenylmethoxyheptanoate Traditional Name: (3S,5S)-5-benzoxy-6-(1,3-dithian-2-yl)-3-hydroxy-6-methyl-enanthic acid methyl ester Formula: C20H30O4S2 MolecularWeight: 398.5798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1SCCCS1)C(CC(CC(=O)OC)O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C1SCCCS1)[C@H](C[C@@H](CC(=O)OC)O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H30O4S2/c1-20(2,19-25-10-7-11-26-19)17(12-16(21)13-18(22)23-3)24-14-15-8-5-4-6-9-15/h4-6,8-9,16-17,19,21H,7,10-14H2,1-3H3/t16-,17-/m0/s1