ethane-1,2-diol; 2-(3-methoxy-4-oxidanyl-phenyl)sulfanylethanoic acid

Systemtic Name: ethane-1,2-diol; 2-(3-methoxy-4-oxidanyl-phenyl)sulfanylethanoic acid Openeye Name: ethylene glycol; 2-(4-hydroxy-3-methoxy-phenyl)sulfanylacetic acid CAS Name: ethane-1,2-diol; 2-[(4-hydroxy-3-methoxyphenyl)thio]acetic acid IUPAC Name: ethane-1,2-diol; 2-(4-hydroxy-3-methoxyphenyl)sulfanylacetic acid Traditional Name: ethylene glycol; 2-[(4-hydroxy-3-methoxy-phenyl)thio]acetic acid Formula: C11H16O6S MolecularWeight: 276.30614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SCC(=O)O)O.C(CO)O

Isomeric SMILES

COC1=C(C=CC(=C1)SCC(=O)O)O.C(CO)O

InChI

InChI=1S/C9H10O4S.C2H6O2/c1-13-8-4-6(2-3-7(8)10)14-5-9(11)12;3-1-2-4/h2-4,10H,5H2,1H3,(H,11,12);3-4H,1-2H2