methyl 4-[(E)-2-(4-decylsulfanylphenyl)ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(4-decylsulfanylphenyl)ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(4-decylsulfanylphenyl)vinyl]benzoate CAS Name: 4-[(E)-2-[4-(decylthio)phenyl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(4-decylsulfanylphenyl)ethenyl]benzoate Traditional Name: 4-[(E)-2-[4-(decylthio)phenyl]vinyl]benzoic acid methyl ester Formula: C26H34O2S MolecularWeight: 410.61196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCSC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C26H34O2S/c1-3-4-5-6-7-8-9-10-21-29-25-19-15-23(16-20-25)12-11-22-13-17-24(18-14-22)26(27)28-2/h11-20H,3-10,21H2,1-2H3/b12-11+