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

Systemtic Name: 2-butyl-3-methoxy-phenol; propyl 3,4,5-tris(oxidanyl)benzoate Openeye Name: 2-butyl-3-methoxy-phenol; propyl 3,4,5-trihydroxybenzoate CAS Name: 2-butyl-3-methoxyphenol; 3,4,5-trihydroxybenzoic acid propyl ester IUPAC Name: 2-butyl-3-methoxyphenol; propyl 3,4,5-trihydroxybenzoate Traditional Name: 2-butyl-3-methoxy-phenol; 3,4,5-trihydroxybenzoic acid propyl ester Formula: C21H28O7 MolecularWeight: 392.44282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1OC)O.CCCOC(=O)C1=CC(=C(C(=C1)O)O)O

Isomeric SMILES

CCCCC1=C(C=CC=C1OC)O.CCCOC(=O)C1=CC(=C(C(=C1)O)O)O

InChI

InChI=1S/C11H16O2.C10H12O5/c1-3-4-6-9-10(12)7-5-8-11(9)13-2;1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h5,7-8,12H,3-4,6H2,1-2H3;4-5,11-13H,2-3H2,1H3