3-[(3E,5E)-2-butylsulfanyl-1-oxidanyl-pentadeca-3,5-dienyl]benzoic acid

Systemtic Name: 3-[(3E,5E)-2-butylsulfanyl-1-oxidanyl-pentadeca-3,5-dienyl]benzoic acid Openeye Name: 3-[(3E,5E)-2-butylsulfanyl-1-hydroxy-pentadeca-3,5-dienyl]benzoic acid CAS Name: 3-[(3E,5E)-2-(butylthio)-1-hydroxypentadeca-3,5-dienyl]benzoic acid IUPAC Name: 3-[(3E,5E)-2-butylsulfanyl-1-hydroxypentadeca-3,5-dienyl]benzoic acid Traditional Name: 3-[(3E,5E)-2-(butylthio)-1-hydroxy-pentadeca-3,5-dienyl]benzoic acid Formula: C26H40O3S MolecularWeight: 432.659

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC(C(C1=CC=CC(=C1)C(=O)O)O)SCCCC

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C(C(C1=CC=CC(=C1)C(=O)O)O)SCCCC

InChI

InChI=1S/C26H40O3S/c1-3-5-7-8-9-10-11-12-13-14-15-19-24(30-20-6-4-2)25(27)22-17-16-18-23(21-22)26(28)29/h13-19,21,24-25,27H,3-12,20H2,1-2H3,(H,28,29)/b14-13+,19-15+