4-ethyl-5-phenylsulfanyl-6-(propan-2-yloxymethyl)cyclohex-4-ene-1,3-dione

Systemtic Name: 4-ethyl-5-phenylsulfanyl-6-(propan-2-yloxymethyl)cyclohex-4-ene-1,3-dione Openeye Name: 4-ethyl-6-(isopropoxymethyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 4-ethyl-5-(phenylthio)-6-(propan-2-yloxymethyl)cyclohex-4-ene-1,3-dione IUPAC Name: 4-ethyl-5-phenylsulfanyl-6-(propan-2-yloxymethyl)cyclohex-4-ene-1,3-dione Traditional Name: 4-ethyl-6-(isopropoxymethyl)-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O3S/c1-4-14-16(19)10-17(20)15(11-21-12(2)3)18(14)22-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3