1-[(2E)-1-ethoxy-8-methoxy-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-ynyl]-4-methoxy-benzene

Systemtic Name: 1-[(2E)-1-ethoxy-8-methoxy-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-ynyl]-4-methoxy-benzene Openeye Name: 1-[(2E)-1-ethoxy-8-methoxy-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-ynyl]-4-methoxy-benzene CAS Name: 1-[(2E)-1-ethoxy-8-methoxy-2-[4-(phenylthio)but-2-ynylidene]oct-3-ynyl]-4-methoxybenzene IUPAC Name: 1-[(2E)-1-ethoxy-8-methoxy-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-ynyl]-4-methoxybenzene Traditional Name: 1-[(E)-1-ethoxy-2-(6-methoxyhex-1-ynyl)-6-(phenylthio)hex-2-en-4-ynyl]-4-methoxy-benzene Formula: C28H32O3S MolecularWeight: 448.61688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=C(C=C1)OC)C(=CC#CCSC2=CC=CC=C2)C#CCCCCOC

Isomeric SMILES

CCOC(C1=CC=C(C=C1)OC)/C(=C/C#CCSC2=CC=CC=C2)/C#CCCCCOC

InChI

InChI=1S/C28H32O3S/c1-4-31-28(25-18-20-26(30-3)21-19-25)24(14-8-5-6-12-22-29-2)15-11-13-23-32-27-16-9-7-10-17-27/h7,9-10,15-21,28H,4-6,12,22-23H2,1-3H3/b24-15+