2,6-diphenylthian-4-one hydrate

Systemtic Name: 2,6-diphenylthian-4-one hydrate Openeye Name: 2,6-diphenyltetrahydrothiopyran-4-one hydrate CAS Name: 2,6-diphenyl-4-thianone hydrate IUPAC Name: 2,6-diphenylthian-4-one hydrate Traditional Name: 2,6-diphenyltetrahydrothiopyran-4-one hydrate Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3.O

Isomeric SMILES

C1C(SC(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3.O

InChI

InChI=1S/C17H16OS.H2O/c18-15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14;/h1-10,16-17H,11-12H2;1H2