3-[(3E,5E)-1-(2-cyanophenyl)pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[(3E,5E)-1-(2-cyanophenyl)pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid Openeye Name: 3-[(2E,4E)-1-[(2-cyanophenyl)methyl]tetradeca-2,4-dienyl]sulfanylpropanoic acid CAS Name: 3-[[(3E,5E)-1-(2-cyanophenyl)pentadeca-3,5-dien-2-yl]thio]propanoic acid IUPAC Name: 3-[(3E,5E)-1-(2-cyanophenyl)pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[(2E,4E)-1-(2-cyanobenzyl)tetradeca-2,4-dienyl]thio]propionic acid Formula: C25H35NO2S MolecularWeight: 413.6159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC(CC1=CC=CC=C1C#N)SCCC(=O)O

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C(CC1=CC=CC=C1C#N)SCCC(=O)O

InChI

InChI=1S/C25H35NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(29-19-18-25(27)28)20-22-15-13-14-16-23(22)21-26/h10-17,24H,2-9,18-20H2,1H3,(H,27,28)/b11-10+,17-12+