2-methyl-2-[(E)-4-methyl-1-phenylsulfanyl-oct-3-enyl]cyclopentan-1-one

Systemtic Name: 2-methyl-2-[(E)-4-methyl-1-phenylsulfanyl-oct-3-enyl]cyclopentan-1-one Openeye Name: 2-methyl-2-[(E)-4-methyl-1-phenylsulfanyl-oct-3-enyl]cyclopentanone CAS Name: 2-methyl-2-[(E)-4-methyl-1-(phenylthio)oct-3-enyl]-1-cyclopentanone IUPAC Name: 2-methyl-2-[(E)-4-methyl-1-phenylsulfanyloct-3-enyl]cyclopentan-1-one Traditional Name: 2-methyl-2-[(E)-4-methyl-1-(phenylthio)oct-3-enyl]cyclopentanone Formula: C21H30OS MolecularWeight: 330.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CCC(C1(CCCC1=O)C)SC2=CC=CC=C2)C

Isomeric SMILES

CCCC/C(=C/CC(C1(CCCC1=O)C)SC2=CC=CC=C2)/C

InChI

InChI=1S/C21H30OS/c1-4-5-10-17(2)14-15-20(21(3)16-9-13-19(21)22)23-18-11-7-6-8-12-18/h6-8,11-12,14,20H,4-5,9-10,13,15-16H2,1-3H3/b17-14+