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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCC(=O)CCOC(=O)C1=CC(=C(C(=C1)O)O)O

Isomeric SMILES

CC(C)CCCCCCCCC(=O)CCOC(=O)C1=CC(=C(C(=C1)O)O)O

InChI

InChI=1S/C21H32O6/c1-15(2)9-7-5-3-4-6-8-10-17(22)11-12-27-21(26)16-13-18(23)20(25)19(24)14-16/h13-15,23-25H,3-12H2,1-2H3