3-(4-hydroxyphenyl)sulfanylpropanoate; propane-1,2-diol

Systemtic Name: 3-(4-hydroxyphenyl)sulfanylpropanoate; propane-1,2-diol Openeye Name: 3-(4-hydroxyphenyl)sulfanylpropanoate; propane-1,2-diol CAS Name: 3-[(4-hydroxyphenyl)thio]propanoate; propane-1,2-diol IUPAC Name: 3-(4-hydroxyphenyl)sulfanylpropanoate; propane-1,2-diol Traditional Name: 3-[(4-hydroxyphenyl)thio]propionate; propane-1,2-diol Formula: C12H17O5S- MolecularWeight: 273.32538

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)O.C1=CC(=CC=C1O)SCCC(=O)[O-]

Isomeric SMILES

CC(CO)O.C1=CC(=CC=C1O)SCCC(=O)[O-]

InChI

InChI=1S/C9H10O3S.C3H8O2/c10-7-1-3-8(4-2-7)13-6-5-9(11)12;1-3(5)2-4/h1-4,10H,5-6H2,(H,11,12);3-5H,2H2,1H3/p-1