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

Systemtic Name: ethane-1,2-diol; 3-(4-hydroxyphenyl)sulfanylpropanoate Openeye Name: ethylene glycol; 3-(4-hydroxyphenyl)sulfanylpropanoate CAS Name: ethane-1,2-diol; 3-[(4-hydroxyphenyl)thio]propanoate IUPAC Name: ethane-1,2-diol; 3-(4-hydroxyphenyl)sulfanylpropanoate Traditional Name: ethylene glycol; 3-[(4-hydroxyphenyl)thio]propionate Formula: C11H15O5S- MolecularWeight: 259.2988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O3S.C2H6O2/c10-7-1-3-8(4-2-7)13-6-5-9(11)12;3-1-2-4/h1-4,10H,5-6H2,(H,11,12);3-4H,1-2H2/p-1