ethane-1,2-diol; O-(phenylmethyl) (phenylmethylsulfanyl)methanethioate

Systemtic Name: ethane-1,2-diol; O-(phenylmethyl) (phenylmethylsulfanyl)methanethioate Openeye Name: O-benzyl benzylsulfanylmethanethioate; ethylene glycol CAS Name: ethane-1,2-diol; (phenylmethylthio)methanethioic acid O-(phenylmethyl) ester IUPAC Name: O-benzyl benzylsulfanylmethanethioate; ethane-1,2-diol Traditional Name: (benzylthio)methanethioic acid O-benzyl ester; ethylene glycol Formula: C32H34O4S4 MolecularWeight: 610.86996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=S)SCC2=CC=CC=C2.C1=CC=C(C=C1)COC(=S)SCC2=CC=CC=C2.C(CO)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=S)SCC2=CC=CC=C2.C1=CC=C(C=C1)COC(=S)SCC2=CC=CC=C2.C(CO)O

InChI

InChI=1S/2C15H14OS2.C2H6O2/c2*17-15(16-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;3-1-2-4/h2*1-10H,11-12H2;3-4H,1-2H2