3,5,6-tris(5-methyl-2-oxidanyl-4-oxidanylidene-hex-5-en-3-yl)benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3,5,6-tris(5-methyl-2-oxidanyl-4-oxidanylidene-hex-5-en-3-yl)benzene-1,2,4-tricarboxylic acid Openeye Name: 3,5,6-tris[1-(1-hydroxyethyl)-3-methyl-2-oxo-but-3-enyl]benzene-1,2,4-tricarboxylic acid CAS Name: 3,5,6-tris(2-hydroxy-5-methyl-4-oxohex-5-en-3-yl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5,6-tris(2-hydroxy-5-methyl-4-oxohex-5-en-3-yl)benzene-1,2,4-tricarboxylic acid Traditional Name: 3,5,6-tris[1-(1-hydroxyethyl)-2-keto-3-methyl-but-3-enyl]trimellitic acid Formula: C30H36O12 MolecularWeight: 588.59964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=C(C(=C(C(=C1C(=O)O)C(C(C)O)C(=O)C(=C)C)C(=O)O)C(=O)O)C(C(C)O)C(=O)C(=C)C)C(=O)C(=C)C)O

Isomeric SMILES

CC(C(C1=C(C(=C(C(=C1C(=O)O)C(C(C)O)C(=O)C(=C)C)C(=O)O)C(=O)O)C(C(C)O)C(=O)C(=C)C)C(=O)C(=C)C)O

InChI

InChI=1S/C30H36O12/c1-10(2)25(34)16(13(7)31)19-20(17(14(8)32)26(35)11(3)4)23(29(39)40)24(30(41)42)21(22(19)28(37)38)18(15(9)33)27(36)12(5)6/h13-18,31-33H,1,3,5H2,2,4,6-9H3,(H,37,38)(H,39,40)(H,41,42)