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

Systemtic Name: [(2E)-1-ethoxy-8-methoxy-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-ynyl]benzene Openeye Name: [(2E)-1-ethoxy-8-methoxy-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-ynyl]benzene CAS Name: [(2E)-1-ethoxy-8-methoxy-2-[4-(phenylthio)but-2-ynylidene]oct-3-ynyl]benzene IUPAC Name: [(2E)-1-ethoxy-8-methoxy-2-(4-phenylsulfanylbut-2-ynylidene)oct-3-ynyl]benzene Traditional Name: [(E)-1-ethoxy-2-(6-methoxyhex-1-ynyl)-6-(phenylthio)hex-2-en-4-ynyl]benzene Formula: C27H30O2S MolecularWeight: 418.5909

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O2S/c1-3-29-27(24-17-9-6-10-18-24)25(16-8-4-5-14-22-28-2)19-13-15-23-30-26-20-11-7-12-21-26/h6-7,9-12,17-21,27H,3-5,14,22-23H2,1-2H3/b25-19+