ethane-1,2-diol; 2-sulfanylbenzoate

Systemtic Name: ethane-1,2-diol; 2-sulfanylbenzoate Openeye Name: ethylene glycol; 2-sulfanylbenzoate CAS Name: ethane-1,2-diol; 2-mercaptobenzoate IUPAC Name: ethane-1,2-diol; 2-sulfanylbenzoate Traditional Name: ethylene glycol; 2-mercaptobenzoate Formula: C13H23O8S- MolecularWeight: 339.38192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2S.3C2H6O2/c8-7(9)5-3-1-2-4-6(5)10;3*3-1-2-4/h1-4,10H,(H,8,9);3*3-4H,1-2H2/p-1