[(2R,3R,4S,5R,6S)-6-(4-methylphenyl)sulfanyl-4,5-bis(phenylcarbonyloxy)-2-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,4S,5R,6S)-6-(4-methylphenyl)sulfanyl-4,5-bis(phenylcarbonyloxy)-2-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] benzoate Openeye Name: [(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-6-(p-tolylsulfanyl)-2-[[(2R,3R,4S,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-6-[(4-methylphenyl)thio]-2-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxymethyl]-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-6-(4-methylphenyl)sulfanyl-2-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-6-(p-tolylthio)-2-[[(2R,3R,4S,5R,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] ester Formula: C68H64O13S MolecularWeight: 1121.29296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C(C(C(C(O2)COC3C(C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C68H64O13S/c1-47-37-39-55(40-38-47)82-68-63(81-66(71)54-35-21-8-22-36-54)61(80-65(70)53-33-19-7-20-34-53)59(79-64(69)52-31-17-6-18-32-52)57(78-68)46-76-67-62(75-44-51-29-15-5-16-30-51)60(74-43-50-27-13-4-14-28-50)58(73-42-49-25-11-3-12-26-49)56(77-67)45-72-41-48-23-9-2-10-24-48/h2-40,56-63,67-68H,41-46H2,1H3/t56-,57-,58-,59-,60+,61+,62-,63-,67-,68+/m1/s1