6-(ethoxymethyl)-5-phenylsulfanyl-4-propan-2-yl-cyclohex-4-ene-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1C(=O)CC(=O)C(=C1SC2=CC=CC=C2)C(C)C

Isomeric SMILES

CCOCC1C(=O)CC(=O)C(=C1SC2=CC=CC=C2)C(C)C

InChI

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