ethyl (E,2R,5S)-2,8-dimethyl-5-oxidanyl-7-oxidanylidene-10-(phenylsulfonyl)dec-8-enoate

Systemtic Name: ethyl (E,2R,5S)-2,8-dimethyl-5-oxidanyl-7-oxidanylidene-10-(phenylsulfonyl)dec-8-enoate Openeye Name: ethyl (E,2R,5S)-10-(benzenesulfonyl)-5-hydroxy-2,8-dimethyl-7-oxo-dec-8-enoate CAS Name: (E,2R,5S)-10-(benzenesulfonyl)-5-hydroxy-2,8-dimethyl-7-oxo-8-decenoic acid ethyl ester IUPAC Name: ethyl (E,2R,5S)-10-(benzenesulfonyl)-5-hydroxy-2,8-dimethyl-7-oxodec-8-enoate Traditional Name: (E,2R,5S)-10-besyl-5-hydroxy-7-keto-2,8-dimethyl-dec-8-enoic acid ethyl ester Formula: C20H28O6S MolecularWeight: 396.49772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CCC(CC(=O)C(=CCS(=O)(=O)C1=CC=CC=C1)C)O

Isomeric SMILES

CCOC(=O)[C@H](C)CC[C@@H](CC(=O)/C(=C/CS(=O)(=O)C1=CC=CC=C1)/C)O

InChI

InChI=1S/C20H28O6S/c1-4-26-20(23)16(3)10-11-17(21)14-19(22)15(2)12-13-27(24,25)18-8-6-5-7-9-18/h5-9,12,16-17,21H,4,10-11,13-14H2,1-3H3/b15-12+/t16-,17+/m1/s1