2-(4-hydroxyphenyl)sulfanylethanoic acid; propane-1,2-diol

Systemtic Name: 2-(4-hydroxyphenyl)sulfanylethanoic acid; propane-1,2-diol Openeye Name: 2-(4-hydroxyphenyl)sulfanylacetic acid; propane-1,2-diol CAS Name: 2-[(4-hydroxyphenyl)thio]acetic acid; propane-1,2-diol IUPAC Name: 2-(4-hydroxyphenyl)sulfanylacetic acid; propane-1,2-diol Traditional Name: 2-[(4-hydroxyphenyl)thio]acetic acid; propane-1,2-diol Formula: C11H16O5S MolecularWeight: 260.30674

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)O.C1=CC(=CC=C1O)SCC(=O)O

Isomeric SMILES

CC(CO)O.C1=CC(=CC=C1O)SCC(=O)O

InChI

InChI=1S/C8H8O3S.C3H8O2/c9-6-1-3-7(4-2-6)12-5-8(10)11;1-3(5)2-4/h1-4,9H,5H2,(H,10,11);3-5H,2H2,1H3