1,3-bis[[(2R,3S,4R,5R)-2,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-3-yl]oxy]propan-2-yl 4-(phenylcarbonyl)benzoate

Systemtic Name: 1,3-bis[[(2R,3S,4R,5R)-2,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-3-yl]oxy]propan-2-yl 4-(phenylcarbonyl)benzoate Openeye Name: [2-[(1S,2R,3R)-2,3,4-trihydroxy-1-[(1R)-1-hydroxy-2-oxo-ethyl]butoxy]-1-[[(1S,2R,3R)-2,3,4-trihydroxy-1-[(1R)-1-hydroxy-2-oxo-ethyl]butoxy]methyl]ethyl] 4-benzoylbenzoate CAS Name: 4-benzoylbenzoic acid 1,3-bis[[(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]oxy]propan-2-yl ester IUPAC Name: 1,3-bis[[(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]oxy]propan-2-yl 4-benzoylbenzoate Traditional Name: 4-benzoylbenzoic acid [2-[(1S,2R,3R)-2,3,4-trihydroxy-1-[(1R)-1-hydroxy-2-keto-ethyl]butoxy]-1-[[(1S,2R,3R)-2,3,4-trihydroxy-1-[(1R)-1-hydroxy-2-keto-ethyl]butoxy]methyl]ethyl] ester Formula: C29H36O15 MolecularWeight: 624.58714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OC(COC(C(C=O)O)C(C(CO)O)O)COC(C(C=O)O)C(C(CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OC(CO[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O)CO[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O

InChI

InChI=1S/C29H36O15/c30-10-20(34)25(39)27(22(36)12-32)42-14-19(15-43-28(23(37)13-33)26(40)21(35)11-31)44-29(41)18-8-6-17(7-9-18)24(38)16-4-2-1-3-5-16/h1-9,12-13,19-23,25-28,30-31,34-37,39-40H,10-11,14-15H2/t20-,21-,22+,23+,25-,26-,27-,28-/m1/s1