(12-methyl-2-oxidanylidene-tridecyl) 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: (12-methyl-2-oxidanylidene-tridecyl) 3,4,5-tris(oxidanyl)benzoate Openeye Name: (12-methyl-2-oxo-tridecyl) 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid (12-methyl-2-oxotridecyl) ester IUPAC Name: (12-methyl-2-oxotridecyl) 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid (2-keto-12-methyl-tridecyl) ester Formula: C21H32O6 MolecularWeight: 380.47518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCC(=O)COC(=O)C1=CC(=C(C(=C1)O)O)O

Isomeric SMILES

CC(C)CCCCCCCCCC(=O)COC(=O)C1=CC(=C(C(=C1)O)O)O

InChI

InChI=1S/C21H32O6/c1-15(2)10-8-6-4-3-5-7-9-11-17(22)14-27-21(26)16-12-18(23)20(25)19(24)13-16/h12-13,15,23-25H,3-11,14H2,1-2H3