6-(butoxymethyl)-4-phenyl-thian-3-one

Systemtic Name: 6-(butoxymethyl)-4-phenyl-thian-3-one Openeye Name: 6-(butoxymethyl)-4-phenyl-tetrahydrothiopyran-3-one CAS Name: 6-(butoxymethyl)-4-phenyl-3-thianone IUPAC Name: 6-(butoxymethyl)-4-phenylthian-3-one Traditional Name: 6-(butoxymethyl)-4-phenyl-tetrahydrothiopyran-3-one Formula: C16H22O2S MolecularWeight: 278.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1CC(C(=O)CS1)C2=CC=CC=C2

Isomeric SMILES

CCCCOCC1CC(C(=O)CS1)C2=CC=CC=C2

InChI

InChI=1S/C16H22O2S/c1-2-3-9-18-11-14-10-15(16(17)12-19-14)13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12H2,1H3