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

Systemtic Name: [(2R,3R)-5,7-bis(oxidanyl)-2-[2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3R)-5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxo-benzo[7]annulen-8-yl)chroman-3-yl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxo-8-benzo[7]annulenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxobenzo[7]annulen-8-yl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-keto-benzocyclohepten-8-yl)chroman-3-yl] ester Formula: C27H20O13 MolecularWeight: 552.4399

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C=C(C(=C4O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O

Isomeric SMILES

C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C=C(C(=C4O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O

InChI

InChI=1S/C27H20O13/c28-12-6-14(29)13-8-20(40-27(38)11-4-15(30)22(34)16(31)5-11)26(39-19(13)7-12)10-1-9-2-18(33)24(36)25(37)21(9)23(35)17(32)3-10/h1-7,20,26,28-31,33-34,36-37H,8H2,(H,32,35)/t20-,26-/m1/s1