[(2S,3R,4S,5S,6R)-2,4,5-tris(oxidanyl)-6-[2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)ethanoyloxymethyl]oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: [(2S,3R,4S,5S,6R)-2,4,5-tris(oxidanyl)-6-[2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)ethanoyloxymethyl]oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: [(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-[[2-(1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)acetyl]oxymethyl]tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-[[2-(1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)-1-oxoethoxy]methyl]-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-[[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-[[2-(1-hydroxy-4-keto-cyclohexa-2,5-dien-1-yl)acetyl]oxymethyl]tetrahydropyran-3-yl] ester Formula: C23H24O12 MolecularWeight: 492.42946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(OC2O)COC(=O)CC3(C=CC(=O)C=C3)O)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)COC(=O)CC3(C=CC(=O)C=C3)O)O)O)O)O

InChI

InChI=1S/C23H24O12/c24-13-5-7-23(32,8-6-13)10-18(28)33-11-16-19(29)20(30)21(22(31)34-16)35-17(27)4-2-12-1-3-14(25)15(26)9-12/h1-9,16,19-22,25-26,29-32H,10-11H2/b4-2+/t16-,19-,20+,21-,22+/m1/s1