[6-(hydroxymethyl)-2,5-bis(oxidanyl)-2,3,4-tris[[3,4,5-tris(oxidanyl)phenyl]carbonyl]-3-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-oxan-4-yl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [6-(hydroxymethyl)-2,5-bis(oxidanyl)-2,3,4-tris[[3,4,5-tris(oxidanyl)phenyl]carbonyl]-3-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-oxan-4-yl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [2,5-dihydroxy-6-(hydroxymethyl)-2,3,4-tris(3,4,5-trihydroxybenzoyl)-3-(3,4,5-trihydroxybenzoyl)oxy-tetrahydropyran-4-yl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [2,5-dihydroxy-6-(hydroxymethyl)-3-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-2,3,4-tris[oxo-(3,4,5-trihydroxyphenyl)methyl]-4-oxanyl] ester IUPAC Name: [2,5-dihydroxy-6-(hydroxymethyl)-2,3,4-tris(3,4,5-trihydroxybenzoyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid (2,3,4-trigalloyl-3-galloyloxy-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl) ester Formula: C41H32O26 MolecularWeight: 940.67718

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)O)C(=O)C2(C(C(OC(C2(C(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)(C(=O)C5=CC(=C(C(=C5)O)O)O)O)CO)O)OC(=O)C6=CC(=C(C(=C6)O)O)O

Isomeric SMILES

C1=C(C=C(C(=C1O)O)O)C(=O)C2(C(C(OC(C2(C(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)(C(=O)C5=CC(=C(C(=C5)O)O)O)O)CO)O)OC(=O)C6=CC(=C(C(=C6)O)O)O

InChI

InChI=1S/C41H32O26/c42-11-27-36(61)39(33(58)12-1-17(43)28(53)18(44)2-12,66-37(62)15-7-23(49)31(56)24(50)8-15)40(34(59)13-3-19(45)29(54)20(46)4-13,67-38(63)16-9-25(51)32(57)26(52)10-16)41(64,65-27)35(60)14-5-21(47)30(55)22(48)6-14/h1-10,27,36,42-57,61,64H,11H2