3-[(3E,5E)-2-(2-carboxyethylsulfinyl)pentadeca-3,5-dienyl]benzoic acid

Systemtic Name: 3-[(3E,5E)-2-(2-carboxyethylsulfinyl)pentadeca-3,5-dienyl]benzoic acid Openeye Name: 3-[(3E,5E)-2-(2-carboxyethylsulfinyl)pentadeca-3,5-dienyl]benzoic acid CAS Name: 3-[(3E,5E)-2-(2-carboxyethylsulfinyl)pentadeca-3,5-dienyl]benzoic acid IUPAC Name: 3-[(3E,5E)-2-(2-carboxyethylsulfinyl)pentadeca-3,5-dienyl]benzoic acid Traditional Name: 3-[(3E,5E)-2-(2-carboxyethylsulfinyl)pentadeca-3,5-dienyl]benzoic acid Formula: C25H36O5S MolecularWeight: 448.61534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC(CC1=CC=CC(=C1)C(=O)O)S(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C(CC1=CC=CC(=C1)C(=O)O)S(=O)CCC(=O)O

InChI

InChI=1S/C25H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-16-23(31(30)18-17-24(26)27)20-21-14-13-15-22(19-21)25(28)29/h10-16,19,23H,2-9,17-18,20H2,1H3,(H,26,27)(H,28,29)/b11-10+,16-12+