[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4-bis(oxidanyl)oxolan-3-yl]methyl benzoate

Systemtic Name: [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4-bis(oxidanyl)oxolan-3-yl]methyl benzoate Openeye Name: [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]tetrahydropyran-3-yl]oxy-3,4-dihydroxy-tetrahydrofuran-3-yl]methyl benzoate CAS Name: benzoic acid [(3S,4R,5S)-5-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]-3-oxanyl]oxy]-3,4-dihydroxy-3-oxolanyl]methyl ester IUPAC Name: [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate Traditional Name: benzoic acid [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-2-(4-methylolphenoxy)tetrahydropyran-3-yl]oxy-3,4-dihydroxy-tetrahydrofuran-3-yl]methyl ester Formula: C25H30O12 MolecularWeight: 522.4985

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)CO)CO)O)O)O)(COC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC=C(C=C3)CO)CO)O)O)O)(COC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C25H30O12/c26-10-14-6-8-16(9-7-14)35-23-20(19(29)18(28)17(11-27)36-23)37-24-21(30)25(32,13-34-24)12-33-22(31)15-4-2-1-3-5-15/h1-9,17-21,23-24,26-30,32H,10-13H2/t17-,18-,19+,20-,21+,23-,24+,25-/m1/s1