benzenethiol hydrate

Systemtic Name: benzenethiol hydrate Openeye Name: benzenethiol hydrate CAS Name: benzenethiol hydrate IUPAC Name: benzenethiol hydrate Traditional Name: benzenethiol hydrate Formula: C12H14OS2 MolecularWeight: 238.36896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S.C1=CC=C(C=C1)S.O

Isomeric SMILES

C1=CC=C(C=C1)S.C1=CC=C(C=C1)S.O

InChI

InChI=1S/2C6H6S.H2O/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;1H2