3-[(2-phenyl-1,3-dithian-2-yl)methyl]hexan-2-one

Systemtic Name: 3-[(2-phenyl-1,3-dithian-2-yl)methyl]hexan-2-one Openeye Name: 3-[(2-phenyl-1,3-dithian-2-yl)methyl]hexan-2-one CAS Name: 3-[(2-phenyl-1,3-dithian-2-yl)methyl]-2-hexanone IUPAC Name: 3-[(2-phenyl-1,3-dithian-2-yl)methyl]hexan-2-one Traditional Name: 3-[(2-phenyl-1,3-dithian-2-yl)methyl]hexan-2-one Formula: C17H24OS2 MolecularWeight: 308.50186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1(SCCCS1)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CCCC(CC1(SCCCS1)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C17H24OS2/c1-3-8-15(14(2)18)13-17(19-11-7-12-20-17)16-9-5-4-6-10-16/h4-6,9-10,15H,3,7-8,11-13H2,1-2H3