6-(ethoxymethyl)-4-ethyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 6-(ethoxymethyl)-4-ethyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(ethoxymethyl)-4-ethyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 6-(ethoxymethyl)-4-ethyl-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 6-(ethoxymethyl)-4-ethyl-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 6-(ethoxymethyl)-4-ethyl-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=O)CC1=O)COCC)SC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(C(=O)CC1=O)COCC)SC2=CC=CC=C2

InChI

InChI=1S/C17H20O3S/c1-3-13-15(18)10-16(19)14(11-20-4-2)17(13)21-12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3