[(3S,4S,5R,6S)-4-oxidanyl-5-(4-oxidanylidenepentanoyloxy)-6-phenylsulfanyl-oxan-3-yl] benzoate

Systemtic Name: [(3S,4S,5R,6S)-4-oxidanyl-5-(4-oxidanylidenepentanoyloxy)-6-phenylsulfanyl-oxan-3-yl] benzoate Openeye Name: [(3S,4S,5R,6S)-4-hydroxy-5-(4-oxopentanoyloxy)-6-phenylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3S,4S,5R,6S)-5-(1,4-dioxopentoxy)-4-hydroxy-6-(phenylthio)-3-oxanyl] ester IUPAC Name: [(3S,4S,5R,6S)-4-hydroxy-5-(4-oxopentanoyloxy)-6-phenylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [(3S,4S,5R,6S)-4-hydroxy-5-(4-ketopentanoyloxy)-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C23H24O7S MolecularWeight: 444.49746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(C(COC1SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)CCC(=O)O[C@@H]1[C@H]([C@H](CO[C@H]1SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C23H24O7S/c1-15(24)12-13-19(25)30-21-20(26)18(29-22(27)16-8-4-2-5-9-16)14-28-23(21)31-17-10-6-3-7-11-17/h2-11,18,20-21,23,26H,12-14H2,1H3/t18-,20-,21+,23-/m0/s1