methyl (3R,5R,7S)-7-acetyloxy-3,5-bis(oxidanyl)-9-phenyl-9-(phenylsulfinyl)nonanoate

Systemtic Name: methyl (3R,5R,7S)-7-acetyloxy-3,5-bis(oxidanyl)-9-phenyl-9-(phenylsulfinyl)nonanoate Openeye Name: methyl (3R,5R,7S)-7-acetoxy-9-(benzenesulfinyl)-3,5-dihydroxy-9-phenyl-nonanoate CAS Name: (3R,5R,7S)-7-acetyloxy-9-(benzenesulfinyl)-3,5-dihydroxy-9-phenylnonanoic acid methyl ester IUPAC Name: methyl (3R,5R,7S)-7-acetyloxy-9-(benzenesulfinyl)-3,5-dihydroxy-9-phenylnonanoate Traditional Name: (3R,5R,7S)-7-acetoxy-9-(benzenesulfinyl)-3,5-dihydroxy-9-phenyl-pelargonic acid methyl ester Formula: C24H30O7S MolecularWeight: 462.5558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(CC(CC(=O)OC)O)O)CC(C1=CC=CC=C1)S(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@@H](C[C@@H](C[C@H](CC(=O)OC)O)O)CC(C1=CC=CC=C1)S(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H30O7S/c1-17(25)31-21(14-19(26)13-20(27)15-24(28)30-2)16-23(18-9-5-3-6-10-18)32(29)22-11-7-4-8-12-22/h3-12,19-21,23,26-27H,13-16H2,1-2H3/t19-,20-,21+,23?,32?/m1/s1