2-(hydroxymethyl)-4-oxidanyl-3-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentan-1-one

Systemtic Name: 2-(hydroxymethyl)-4-oxidanyl-3-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentan-1-one Openeye Name: 4-hydroxy-2-(hydroxymethyl)-3-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentanone CAS Name: 4-hydroxy-2-(hydroxymethyl)-3-[(E)-1-(phenylthio)oct-2-enyl]-1-cyclopentanone IUPAC Name: 4-hydroxy-2-(hydroxymethyl)-3-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentan-1-one Traditional Name: 4-hydroxy-2-methylol-3-[(E)-1-(phenylthio)oct-2-enyl]cyclopentanone Formula: C20H28O3S MolecularWeight: 348.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1C(CC(=O)C1CO)O)SC2=CC=CC=C2

Isomeric SMILES

CCCCC/C=C/C(C1C(CC(=O)C1CO)O)SC2=CC=CC=C2

InChI

InChI=1S/C20H28O3S/c1-2-3-4-5-9-12-19(24-15-10-7-6-8-11-15)20-16(14-21)17(22)13-18(20)23/h6-12,16,18-21,23H,2-5,13-14H2,1H3/b12-9+