1-[(E)-11-methoxy-1-phenylsulfanyl-undec-4-en-2,6-diyn-5-yl]-1,3-dihydro-2-benzofuran

Systemtic Name: 1-[(E)-11-methoxy-1-phenylsulfanyl-undec-4-en-2,6-diyn-5-yl]-1,3-dihydro-2-benzofuran Openeye Name: 1-[(1E)-7-methoxy-1-(4-phenylsulfanylbut-2-ynylidene)hept-2-ynyl]-1,3-dihydroisobenzofuran CAS Name: 1-[(E)-11-methoxy-1-(phenylthio)undec-4-en-2,6-diyn-5-yl]-1,3-dihydroisobenzofuran IUPAC Name: 1-[(E)-11-methoxy-1-phenylsulfanylundec-4-en-2,6-diyn-5-yl]-1,3-dihydro-2-benzofuran Traditional Name: 1-[(E)-1-(6-methoxyhex-1-ynyl)-5-(phenylthio)pent-1-en-3-ynyl]phthalan Formula: C26H26O2S MolecularWeight: 402.54844

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCC#CC(=CC#CCSC1=CC=CC=C1)C2C3=CC=CC=C3CO2

Isomeric SMILES

COCCCCC#C/C(=C\C#CCSC1=CC=CC=C1)/C2C3=CC=CC=C3CO2

InChI

InChI=1S/C26H26O2S/c1-27-19-11-3-2-5-13-22(26-25-18-9-8-15-23(25)21-28-26)14-10-12-20-29-24-16-6-4-7-17-24/h4,6-9,14-18,26H,2-3,11,19-21H2,1H3/b22-14+