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

Systemtic Name: methyl (3S,5S)-6-(1,3-dithiolan-2-yl)-6-methyl-3-oxidanyl-5-phenylmethoxy-heptanoate Openeye Name: methyl (3S,5S)-5-benzyloxy-6-(1,3-dithiolan-2-yl)-3-hydroxy-6-methyl-heptanoate CAS Name: (3S,5S)-6-(1,3-dithiolan-2-yl)-3-hydroxy-6-methyl-5-phenylmethoxyheptanoic acid methyl ester IUPAC Name: methyl (3S,5S)-6-(1,3-dithiolan-2-yl)-3-hydroxy-6-methyl-5-phenylmethoxyheptanoate Traditional Name: (3S,5S)-5-benzoxy-6-(1,3-dithiolan-2-yl)-3-hydroxy-6-methyl-enanthic acid methyl ester Formula: C19H28O4S2 MolecularWeight: 384.55322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1SCCS1)C(CC(CC(=O)OC)O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C1SCCS1)[C@H](C[C@@H](CC(=O)OC)O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H28O4S2/c1-19(2,18-24-9-10-25-18)16(11-15(20)12-17(21)22-3)23-13-14-7-5-4-6-8-14/h4-8,15-16,18,20H,9-13H2,1-3H3/t15-,16-/m0/s1