2-oxidanyl-3-(3-oxidanylidene-1-phenyl-pentyl)thiochromen-4-one

Systemtic Name: 2-oxidanyl-3-(3-oxidanylidene-1-phenyl-pentyl)thiochromen-4-one Openeye Name: 2-hydroxy-3-(3-oxo-1-phenyl-pentyl)thiochromen-4-one CAS Name: 2-hydroxy-3-(3-oxo-1-phenylpentyl)-1-benzothiopyran-4-one IUPAC Name: 2-hydroxy-3-(3-oxo-1-phenylpentyl)thiochromen-4-one Traditional Name: 2-hydroxy-3-(3-keto-1-phenyl-pentyl)thiochromen-4-one Formula: C20H18O3S MolecularWeight: 338.42012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(C1=CC=CC=C1)C2=C(SC3=CC=CC=C3C2=O)O

Isomeric SMILES

CCC(=O)CC(C1=CC=CC=C1)C2=C(SC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C20H18O3S/c1-2-14(21)12-16(13-8-4-3-5-9-13)18-19(22)15-10-6-7-11-17(15)24-20(18)23/h3-11,16,23H,2,12H2,1H3