6-(butoxymethyl)-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 6-(butoxymethyl)-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(butoxymethyl)-4-methyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 6-(butoxymethyl)-4-methyl-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 6-(butoxymethyl)-4-methyl-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 6-(butoxymethyl)-4-methyl-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1C(=O)CC(=O)C(=C1SC2=CC=CC=C2)C

Isomeric SMILES

CCCCOCC1C(=O)CC(=O)C(=C1SC2=CC=CC=C2)C

InChI

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