[3,4-bis(oxidanyl)-5-oxidanylidene-1,8-bis[(2R,3R)-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-yl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [3,4-bis(oxidanyl)-5-oxidanylidene-1,8-bis[(2R,3R)-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-yl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [3,4-dihydroxy-5-oxo-1,8-bis[(2R,3R)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-6-yl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [3,4-dihydroxy-5-oxo-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-6-benzo[7]annulenyl] ester IUPAC Name: [3,4-dihydroxy-5-oxo-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-yl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [3,4-dihydroxy-5-keto-1,8-bis[(2R,3R)-3,5,7-trihydroxychroman-2-yl]benzocyclohepten-6-yl] ester Formula: C36H28O16 MolecularWeight: 716.59792

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)OC(=O)C7=CC(=C(C(=C7)O)O)O)O

Isomeric SMILES

C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)OC(=O)C7=CC(=C(C(=C7)O)O)O)O

InChI

InChI=1S/C36H28O16/c37-14-5-20(39)18-10-25(44)34(50-27(18)7-14)12-1-16-17(35-26(45)11-19-21(40)6-15(38)8-28(19)51-35)9-24(43)32(47)30(16)33(48)29(4-12)52-36(49)13-2-22(41)31(46)23(42)3-13/h1-9,25-26,34-35,37-47H,10-11H2/t25-,26-,34-,35-/m1/s1