[(2R,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[4-(3-oxidanylidenebutyl)phenoxy]oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [(2R,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[4-(3-oxidanylidenebutyl)phenoxy]oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(3-ketobutyl)phenoxy]tetrahydropyran-2-yl]methyl ester Formula: C23H26O11 MolecularWeight: 478.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O

InChI

InChI=1S/C23H26O11/c1-11(24)2-3-12-4-6-14(7-5-12)33-23-21(30)20(29)19(28)17(34-23)10-32-22(31)13-8-15(25)18(27)16(26)9-13/h4-9,17,19-21,23,25-30H,2-3,10H2,1H3/t17-,19-,20+,21-,23-/m1/s1