2-butyl-6-methoxy-phenol; 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: 2-butyl-6-methoxy-phenol; 3,4,5-tris(oxidanyl)benzoate Openeye Name: 2-butyl-6-methoxy-phenol; 3,4,5-trihydroxybenzoate CAS Name: 2-butyl-6-methoxyphenol; 3,4,5-trihydroxybenzoate IUPAC Name: 2-butyl-6-methoxyphenol; 3,4,5-trihydroxybenzoate Traditional Name: 2-butyl-6-methoxy-phenol; 3,4,5-trihydroxybenzoate Formula: C18H21O7- MolecularWeight: 349.35514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)OC)O.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

Isomeric SMILES

CCCCC1=C(C(=CC=C1)OC)O.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

InChI

InChI=1S/C11H16O2.C7H6O5/c1-3-4-6-9-7-5-8-10(13-2)11(9)12;8-4-1-3(7(11)12)2-5(9)6(4)10/h5,7-8,12H,3-4,6H2,1-2H3;1-2,8-10H,(H,11,12)/p-1