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

Systemtic Name: 6-(2-hydroxyethyloxymethyl)-5-phenylsulfanyl-4-propan-2-yl-cyclohex-4-ene-1,3-dione Openeye Name: 6-(2-hydroxyethoxymethyl)-4-isopropyl-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 6-(2-hydroxyethoxymethyl)-5-(phenylthio)-4-propan-2-ylcyclohex-4-ene-1,3-dione IUPAC Name: 6-(2-hydroxyethoxymethyl)-5-phenylsulfanyl-4-propan-2-ylcyclohex-4-ene-1,3-dione Traditional Name: 6-(2-hydroxyethoxymethyl)-4-isopropyl-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC=C2

InChI

InChI=1S/C18H22O4S/c1-12(2)17-16(21)10-15(20)14(11-22-9-8-19)18(17)23-13-6-4-3-5-7-13/h3-7,12,14,19H,8-11H2,1-2H3