methyl (3R,6S,7S)-3,7-dimethyl-6-(4-methylphenyl)sulfonyloxy-8-phenylmethoxy-octanoate

Systemtic Name: methyl (3R,6S,7S)-3,7-dimethyl-6-(4-methylphenyl)sulfonyloxy-8-phenylmethoxy-octanoate Openeye Name: methyl (3R,6S,7S)-8-benzyloxy-3,7-dimethyl-6-(p-tolylsulfonyloxy)octanoate CAS Name: (3R,6S,7S)-3,7-dimethyl-6-(4-methylphenyl)sulfonyloxy-8-phenylmethoxyoctanoic acid methyl ester IUPAC Name: methyl (3R,6S,7S)-3,7-dimethyl-6-(4-methylphenyl)sulfonyloxy-8-phenylmethoxyoctanoate Traditional Name: (3R,6S,7S)-8-benzoxy-3,7-dimethyl-6-tosyloxy-caprylic acid methyl ester Formula: C25H34O6S MolecularWeight: 462.59886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCC(C)CC(=O)OC)C(C)COCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](CC[C@@H](C)CC(=O)OC)[C@@H](C)COCC2=CC=CC=C2

InChI

InChI=1S/C25H34O6S/c1-19-10-13-23(14-11-19)32(27,28)31-24(15-12-20(2)16-25(26)29-4)21(3)17-30-18-22-8-6-5-7-9-22/h5-11,13-14,20-21,24H,12,15-18H2,1-4H3/t20-,21+,24+/m1/s1