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

Systemtic Name: ethane-1,2-diol; 2-(3-methyl-4-oxidanyl-phenyl)sulfanylethanoic acid Openeye Name: ethylene glycol; 2-(4-hydroxy-3-methyl-phenyl)sulfanylacetic acid CAS Name: ethane-1,2-diol; 2-[(4-hydroxy-3-methylphenyl)thio]acetic acid IUPAC Name: ethane-1,2-diol; 2-(4-hydroxy-3-methylphenyl)sulfanylacetic acid Traditional Name: ethylene glycol; 2-[(4-hydroxy-3-methyl-phenyl)thio]acetic acid Formula: C11H16O5S MolecularWeight: 260.30674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC(=O)O)O.C(CO)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC(=O)O)O.C(CO)O

InChI

InChI=1S/C9H10O3S.C2H6O2/c1-6-4-7(2-3-8(6)10)13-5-9(11)12;3-1-2-4/h2-4,10H,5H2,1H3,(H,11,12);3-4H,1-2H2