phenyl-(4-sulfanylphenyl)methanone; propane-1,2-diol

Systemtic Name: phenyl-(4-sulfanylphenyl)methanone; propane-1,2-diol Openeye Name: phenyl-(4-sulfanylphenyl)methanone; propane-1,2-diol CAS Name: (4-mercaptophenyl)-phenylmethanone; propane-1,2-diol IUPAC Name: phenyl-(4-sulfanylphenyl)methanone; propane-1,2-diol Traditional Name: (4-mercaptophenyl)-phenyl-methanone; propane-1,2-diol Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10OS.C3H8O2/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11;1-3(5)2-4/h1-9,15H;3-5H,2H2,1H3