5-(octylsulfanylmethyl)-4-phenyl-2,3-dihydropyran-6-one

Systemtic Name: 5-(octylsulfanylmethyl)-4-phenyl-2,3-dihydropyran-6-one Openeye Name: 5-(octylsulfanylmethyl)-4-phenyl-2,3-dihydropyran-6-one CAS Name: 5-[(octylthio)methyl]-4-phenyl-2,3-dihydropyran-6-one IUPAC Name: 5-(octylsulfanylmethyl)-4-phenyl-2,3-dihydropyran-6-one Traditional Name: 5-[(octylthio)methyl]-4-phenyl-2,3-dihydropyran-6-one Formula: C20H28O2S MolecularWeight: 332.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC1=C(CCOC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCSCC1=C(CCOC1=O)C2=CC=CC=C2

InChI

InChI=1S/C20H28O2S/c1-2-3-4-5-6-10-15-23-16-19-18(13-14-22-20(19)21)17-11-8-7-9-12-17/h7-9,11-12H,2-6,10,13-16H2,1H3