2-[3,4,5,6-tetrakis[[3,4,5-tris(oxidanyl)phenyl]carbonyl]oxan-2-yl]-1-[3,4,5-tris(oxidanyl)phenyl]ethanone

Systemtic Name: 2-[3,4,5,6-tetrakis[[3,4,5-tris(oxidanyl)phenyl]carbonyl]oxan-2-yl]-1-[3,4,5-tris(oxidanyl)phenyl]ethanone Openeye Name: 2-[3,4,5,6-tetrakis(3,4,5-trihydroxybenzoyl)tetrahydropyran-2-yl]-1-(3,4,5-trihydroxyphenyl)ethanone CAS Name: 2-[3,4,5,6-tetrakis[oxo-(3,4,5-trihydroxyphenyl)methyl]-2-oxanyl]-1-(3,4,5-trihydroxyphenyl)ethanone IUPAC Name: 2-[3,4,5,6-tetrakis(3,4,5-trihydroxybenzoyl)oxan-2-yl]-1-(3,4,5-trihydroxyphenyl)ethanone Traditional Name: 2-(3,4,5,6-tetragalloyltetrahydropyran-2-yl)-1-(3,4,5-trihydroxyphenyl)ethanone Formula: C41H32O21 MolecularWeight: 860.68018

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)O)C(=O)CC2C(C(C(C(O2)C(=O)C3=CC(=C(C(=C3)O)O)O)C(=O)C4=CC(=C(C(=C4)O)O)O)C(=O)C5=CC(=C(C(=C5)O)O)O)C(=O)C6=CC(=C(C(=C6)O)O)O

Isomeric SMILES

C1=C(C=C(C(=C1O)O)O)C(=O)CC2C(C(C(C(O2)C(=O)C3=CC(=C(C(=C3)O)O)O)C(=O)C4=CC(=C(C(=C4)O)O)O)C(=O)C5=CC(=C(C(=C5)O)O)O)C(=O)C6=CC(=C(C(=C6)O)O)O

InChI

InChI=1S/C41H32O21/c42-17(12-1-18(43)36(57)19(44)2-12)11-28-29(32(53)13-3-20(45)37(58)21(46)4-13)30(33(54)14-5-22(47)38(59)23(48)6-14)31(34(55)15-7-24(49)39(60)25(50)8-15)41(62-28)35(56)16-9-26(51)40(61)27(52)10-16/h1-10,28-31,41,43-52,57-61H,11H2