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

Systemtic Name: 6-(cyclohexyloxymethyl)-4-ethyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(cyclohexoxymethyl)-4-ethyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 6-(cyclohexyloxymethyl)-4-ethyl-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 6-(cyclohexyloxymethyl)-4-ethyl-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 6-(cyclohexoxymethyl)-4-ethyl-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=O)CC1=O)COC2CCCCC2)SC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(C(=O)CC1=O)COC2CCCCC2)SC3=CC=CC=C3

InChI

InChI=1S/C21H26O3S/c1-2-17-19(22)13-20(23)18(14-24-15-9-5-3-6-10-15)21(17)25-16-11-7-4-8-12-16/h4,7-8,11-12,15,18H,2-3,5-6,9-10,13-14H2,1H3