1-(3-ethoxy-1-phenyl-undec-1-yn-3-yl)sulfanyl-4-methyl-benzene

Systemtic Name: 1-(3-ethoxy-1-phenyl-undec-1-yn-3-yl)sulfanyl-4-methyl-benzene Openeye Name: 1-[1-ethoxy-1-(2-phenylethynyl)nonyl]sulfanyl-4-methyl-benzene CAS Name: 1-[(3-ethoxy-1-phenylundec-1-yn-3-yl)thio]-4-methylbenzene IUPAC Name: 1-(3-ethoxy-1-phenylundec-1-yn-3-yl)sulfanyl-4-methylbenzene Traditional Name: 1-[(1-ethoxy-1-octyl-3-phenyl-prop-2-ynyl)thio]-4-methyl-benzene Formula: C26H34OS MolecularWeight: 394.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C#CC1=CC=CC=C1)(OCC)SC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCC(C#CC1=CC=CC=C1)(OCC)SC2=CC=C(C=C2)C

InChI

InChI=1S/C26H34OS/c1-4-6-7-8-9-13-21-26(27-5-2,22-20-24-14-11-10-12-15-24)28-25-18-16-23(3)17-19-25/h10-12,14-19H,4-9,13,21H2,1-3H3