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

Systemtic Name: propyl 3,4,5-tris(oxidanyl)benzoate; 3-sulfanylpropane-1,2-diol Openeye Name: propyl 3,4,5-trihydroxybenzoate; 3-sulfanylpropane-1,2-diol CAS Name: 3-mercaptopropane-1,2-diol; 3,4,5-trihydroxybenzoic acid propyl ester IUPAC Name: propyl 3,4,5-trihydroxybenzoate; 3-sulfanylpropane-1,2-diol Traditional Name: 3-mercaptopropane-1,2-diol; 3,4,5-trihydroxybenzoic acid propyl ester Formula: C13H20O7S MolecularWeight: 320.3587

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O5.C3H8O2S/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6;4-1-3(5)2-6/h4-5,11-13H,2-3H2,1H3;3-6H,1-2H2