4-(2-hydroxyethyloxymethyl)-2-methyl-3-phenylsulfanyl-5-sulfanylidene-cyclohex-2-en-1-one

Systemtic Name: 4-(2-hydroxyethyloxymethyl)-2-methyl-3-phenylsulfanyl-5-sulfanylidene-cyclohex-2-en-1-one Openeye Name: 4-(2-hydroxyethoxymethyl)-2-methyl-3-phenylsulfanyl-5-thioxo-cyclohex-2-en-1-one CAS Name: 4-(2-hydroxyethoxymethyl)-2-methyl-3-(phenylthio)-5-sulfanylidene-1-cyclohex-2-enone IUPAC Name: 4-(2-hydroxyethoxymethyl)-2-methyl-3-phenylsulfanyl-5-sulfanylidenecyclohex-2-en-1-one Traditional Name: 4-(2-hydroxyethoxymethyl)-2-methyl-3-(phenylthio)-5-thioxo-cyclohex-2-en-1-one Formula: C16H18O3S2 MolecularWeight: 322.44232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=S)CC1=O)COCCO)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(C(=S)CC1=O)COCCO)SC2=CC=CC=C2

InChI

InChI=1S/C16H18O3S2/c1-11-14(18)9-15(20)13(10-19-8-7-17)16(11)21-12-5-3-2-4-6-12/h2-6,13,17H,7-10H2,1H3