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

Systemtic Name: 3-[(3E,5E)-1-(3-cyanophenyl)pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid Openeye Name: 3-[(2E,4E)-1-[(3-cyanophenyl)methyl]tetradeca-2,4-dienyl]sulfanylpropanoic acid CAS Name: 3-[[(3E,5E)-1-(3-cyanophenyl)pentadeca-3,5-dien-2-yl]thio]propanoic acid IUPAC Name: 3-[(3E,5E)-1-(3-cyanophenyl)pentadeca-3,5-dien-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[(2E,4E)-1-(3-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(=C1)C#N)SCCC(=O)O

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C(CC1=CC=CC(=C1)C#N)SCCC(=O)O

InChI

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