propane-1,2-diol; propyl 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: propane-1,2-diol; propyl 3,4,5-tris(oxidanyl)benzoate Openeye Name: propane-1,2-diol; propyl 3,4,5-trihydroxybenzoate CAS Name: propane-1,2-diol; 3,4,5-trihydroxybenzoic acid propyl ester IUPAC Name: propane-1,2-diol; propyl 3,4,5-trihydroxybenzoate Traditional Name: propane-1,2-diol; 3,4,5-trihydroxybenzoic acid propyl ester Formula: C13H20O7 MolecularWeight: 288.2937

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=C(C(=C1)O)O)O.CC(CO)O

Isomeric SMILES

CCCOC(=O)C1=CC(=C(C(=C1)O)O)O.CC(CO)O

InChI

InChI=1S/C10H12O5.C3H8O2/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6;1-3(5)2-4/h4-5,11-13H,2-3H2,1H3;3-5H,2H2,1H3