(1R,2R,4R,5R,6S)-6-[3,4-bis(oxidanyl)phenyl]-8-[(E)-3-[(2R)-3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]-2-oxidanyl-3-oxidanylidene-bicyclo[2.2.2]oct-7-ene-5-carboxylic acid

Systemtic Name: (1R,2R,4R,5R,6S)-6-[3,4-bis(oxidanyl)phenyl]-8-[(E)-3-[(2R)-3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]-2-oxidanyl-3-oxidanylidene-bicyclo[2.2.2]oct-7-ene-5-carboxylic acid Openeye Name: (1R,2R,4R,5R,6S)-6-(3,4-dihydroxyphenyl)-8-[(E)-3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxo-ethoxy]-3-oxo-prop-1-enyl]-2-hydroxy-3-oxo-bicyclo[2.2.2]oct-7-ene-5-carboxylic acid CAS Name: (1R,2R,4R,5R,6S)-6-(3,4-dihydroxyphenyl)-8-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-2-hydroxy-3-oxo-5-bicyclo[2.2.2]oct-7-enecarboxylic acid IUPAC Name: (1R,2R,4R,5R,6S)-6-(3,4-dihydroxyphenyl)-8-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-2-hydroxy-3-oxobicyclo[2.2.2]oct-7-ene-5-carboxylic acid Traditional Name: (1R,2R,4R,5R,6S)-6-(3,4-dihydroxyphenyl)-2-hydroxy-8-[(E)-3-[(1R)-2-hydroxy-2-keto-1-protocatechuyl-ethoxy]-3-keto-prop-1-enyl]-3-keto-bicyclo[2.2.2]oct-7-ene-5-carboxylic acid Formula: C27H24O12 MolecularWeight: 540.47226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC3C(C(C2C(=O)C3O)C(=O)O)C4=CC(=C(C=C4)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C[C@@H]3[C@@H]([C@H]([C@H]2C(=O)[C@@H]3O)C(=O)O)C4=CC(=C(C=C4)O)O)O)O

InChI

InChI=1S/C27H24O12/c28-15-4-1-11(7-17(15)30)8-19(26(35)36)39-20(32)6-3-12-9-14-21(13-2-5-16(29)18(31)10-13)23(27(37)38)22(12)25(34)24(14)33/h1-7,9-10,14,19,21-24,28-31,33H,8H2,(H,35,36)(H,37,38)/b6-3+/t14-,19-,21+,22+,23-,24-/m1/s1