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

Systemtic Name: 2-(3-chloranyl-4-oxidanyl-phenyl)sulfanylethanoic acid; ethane-1,2-diol Openeye Name: 2-(3-chloro-4-hydroxy-phenyl)sulfanylacetic acid; ethylene glycol CAS Name: 2-[(3-chloro-4-hydroxyphenyl)thio]acetic acid; ethane-1,2-diol IUPAC Name: 2-(3-chloro-4-hydroxyphenyl)sulfanylacetic acid; ethane-1,2-diol Traditional Name: 2-[(3-chloro-4-hydroxy-phenyl)thio]acetic acid; ethylene glycol Formula: C10H13ClO5S MolecularWeight: 280.72522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCC(=O)O)Cl)O.C(CO)O

Isomeric SMILES

C1=CC(=C(C=C1SCC(=O)O)Cl)O.C(CO)O

InChI

InChI=1S/C8H7ClO3S.C2H6O2/c9-6-3-5(1-2-7(6)10)13-4-8(11)12;3-1-2-4/h1-3,10H,4H2,(H,11,12);3-4H,1-2H2