6-[4-(2-chlorophenyl)sulfanylundecyl]oxan-2-one

Systemtic Name: 6-[4-(2-chlorophenyl)sulfanylundecyl]oxan-2-one Openeye Name: 6-[4-(2-chlorophenyl)sulfanylundecyl]tetrahydropyran-2-one CAS Name: 6-[4-[(2-chlorophenyl)thio]undecyl]-2-oxanone IUPAC Name: 6-[4-(2-chlorophenyl)sulfanylundecyl]oxan-2-one Traditional Name: 6-[4-[(2-chlorophenyl)thio]undecyl]tetrahydropyran-2-one Formula: C22H33ClO2S MolecularWeight: 397.01422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCC1CCCC(=O)O1)SC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCC(CCCC1CCCC(=O)O1)SC2=CC=CC=C2Cl

InChI

InChI=1S/C22H33ClO2S/c1-2-3-4-5-6-13-19(26-21-16-8-7-15-20(21)23)14-9-11-18-12-10-17-22(24)25-18/h7-8,15-16,18-19H,2-6,9-14,17H2,1H3