7-thiabicyclo[4.1.0]hepta-1,3,5-triene hydrate

Systemtic Name: 7-thiabicyclo[4.1.0]hepta-1,3,5-triene hydrate Openeye Name: 7-thiabicyclo[4.1.0]hepta-1,3,5-triene hydrate CAS Name: 7-thiabicyclo[4.1.0]hepta-1,3,5-triene hydrate IUPAC Name: 7-thiabicyclo[4.1.0]hepta-1,3,5-triene hydrate Traditional Name: 7-thiabicyclo[4.1.0]hepta-1,3,5-triene hydrate Formula: C12H10OS2 MolecularWeight: 234.3372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)S2.C1=CC=C2C(=C1)S2.O

Isomeric SMILES

C1=CC=C2C(=C1)S2.C1=CC=C2C(=C1)S2.O

InChI

InChI=1S/2C6H4S.H2O/c2*1-2-4-6-5(3-1)7-6;/h2*1-4H;1H2