[(3R,4S,5S)-5-(4-methylphenyl)sulfonyloxy-6-oxidanylidene-4-(phenylcarbonyloxy)hex-1-en-3-yl] benzoate

Systemtic Name: [(3R,4S,5S)-5-(4-methylphenyl)sulfonyloxy-6-oxidanylidene-4-(phenylcarbonyloxy)hex-1-en-3-yl] benzoate Openeye Name: [(1R,2S,3S)-2-benzoyloxy-4-oxo-3-(p-tolylsulfonyloxy)-1-vinyl-butyl] benzoate CAS Name: benzoic acid [(3R,4S,5S)-4-benzoyloxy-5-(4-methylphenyl)sulfonyloxy-6-oxohex-1-en-3-yl] ester IUPAC Name: [(3R,4S,5S)-4-benzoyloxy-5-(4-methylphenyl)sulfonyloxy-6-oxohex-1-en-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S,2S)-1-benzoyloxy-3-keto-2-tosyloxy-propyl]allyl] ester Formula: C27H24O8S MolecularWeight: 508.53966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C=O)C(C(C=C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C=O)[C@H]([C@@H](C=C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H24O8S/c1-3-23(33-26(29)20-10-6-4-7-11-20)25(34-27(30)21-12-8-5-9-13-21)24(18-28)35-36(31,32)22-16-14-19(2)15-17-22/h3-18,23-25H,1H2,2H3/t23-,24-,25+/m1/s1