3-[(3E,5E)-8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-oxidanyl-1-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]octa-3,5-dien-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[(3E,5E)-8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-oxidanyl-1-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]octa-3,5-dien-2-yl]sulfanylpropanoic acid Openeye Name: 3-[(2E,4E)-1-[hydroxy-[3-(2H-tetrazol-5-yl)phenyl]methyl]-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hepta-2,4-dienyl]sulfanylpropanoic acid CAS Name: 3-[[(3E,5E)-1-hydroxy-8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-[3-(2H-tetrazol-5-yl)phenyl]octa-3,5-dien-2-yl]thio]propanoic acid IUPAC Name: 3-[(3E,5E)-1-hydroxy-8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-[3-(2H-tetrazol-5-yl)phenyl]octa-3,5-dien-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[(2E,4E)-1-[hydroxy-[3-(2H-tetrazol-5-yl)phenyl]methyl]-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hepta-2,4-dienyl]thio]propionic acid Formula: C25H36N4O7S MolecularWeight: 536.64094

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCCOCCOCCC=CC=CC(C(C1=CC=CC(=C1)C2=NNN=N2)O)SCCC(=O)O

Isomeric SMILES

COCCOCCOCCOCC/C=C/C=C/C(C(C1=CC=CC(=C1)C2=NNN=N2)O)SCCC(=O)O

InChI

InChI=1S/C25H36N4O7S/c1-33-12-13-35-16-17-36-15-14-34-11-5-3-2-4-9-22(37-18-10-23(30)31)24(32)20-7-6-8-21(19-20)25-26-28-29-27-25/h2-4,6-9,19,22,24,32H,5,10-18H2,1H3,(H,30,31)(H,26,27,28,29)/b3-2+,9-4+