2-methyl-7-phenylsulfanyl-undec-2-en-5-yn-4-one

Systemtic Name: 2-methyl-7-phenylsulfanyl-undec-2-en-5-yn-4-one Openeye Name: 2-methyl-7-phenylsulfanyl-undec-2-en-5-yn-4-one CAS Name: 2-methyl-7-(phenylthio)-4-undec-2-en-5-ynone IUPAC Name: 2-methyl-7-phenylsulfanylundec-2-en-5-yn-4-one Traditional Name: 2-methyl-7-(phenylthio)undec-2-en-5-yn-4-one Formula: C18H22OS MolecularWeight: 286.43168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#CC(=O)C=C(C)C)SC1=CC=CC=C1

Isomeric SMILES

CCCCC(C#CC(=O)C=C(C)C)SC1=CC=CC=C1

InChI

InChI=1S/C18H22OS/c1-4-5-9-18(13-12-16(19)14-15(2)3)20-17-10-7-6-8-11-17/h6-8,10-11,14,18H,4-5,9H2,1-3H3