[5-methyl-5-oxidanyl-2,3-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]cyclohexyl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [5-methyl-5-oxidanyl-2,3-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]cyclohexyl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [5-hydroxy-5-methyl-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [5-hydroxy-5-methyl-2,3-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]cyclohexyl] ester IUPAC Name: [5-hydroxy-5-methyl-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexyl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid (2,3-digalloyloxy-5-hydroxy-5-methyl-cyclohexyl) ester Formula: C28H26O16 MolecularWeight: 618.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(C(C1)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O

Isomeric SMILES

CC1(CC(C(C(C1)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O

InChI

InChI=1S/C28H26O16/c1-28(41)8-19(42-25(38)10-2-13(29)21(35)14(30)3-10)24(44-27(40)12-6-17(33)23(37)18(34)7-12)20(9-28)43-26(39)11-4-15(31)22(36)16(32)5-11/h2-7,19-20,24,29-37,41H,8-9H2,1H3