3-(2-phenethyl-1,3-dithian-2-yl)cyclohex-2-en-1-one

Systemtic Name: 3-(2-phenethyl-1,3-dithian-2-yl)cyclohex-2-en-1-one Openeye Name: 3-(2-phenethyl-1,3-dithian-2-yl)cyclohex-2-en-1-one CAS Name: 3-(2-phenethyl-1,3-dithian-2-yl)-1-cyclohex-2-enone IUPAC Name: 3-(2-phenethyl-1,3-dithian-2-yl)cyclohex-2-en-1-one Traditional Name: 3-(2-phenethyl-1,3-dithian-2-yl)cyclohex-2-en-1-one Formula: C18H22OS2 MolecularWeight: 318.49668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)C2(SCCCS2)CCC3=CC=CC=C3

Isomeric SMILES

C1CC(=CC(=O)C1)C2(SCCCS2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H22OS2/c19-17-9-4-8-16(14-17)18(20-12-5-13-21-18)11-10-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2