3-[(E)-1-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]pentadec-3-en-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[(E)-1-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]pentadec-3-en-2-yl]sulfanylpropanoic acid Openeye Name: 3-[(E)-1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]tetradec-2-enyl]sulfanylpropanoic acid CAS Name: 3-[[(E)-1-[3-(2H-tetrazol-5-yl)phenyl]pentadec-3-en-2-yl]thio]propanoic acid IUPAC Name: 3-[(E)-1-[3-(2H-tetrazol-5-yl)phenyl]pentadec-3-en-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[(E)-1-[3-(2H-tetrazol-5-yl)benzyl]tetradec-2-enyl]thio]propionic acid Formula: C25H38N4O2S MolecularWeight: 458.65982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CC(CC1=CC=CC(=C1)C2=NNN=N2)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCC/C=C/C(CC1=CC=CC(=C1)C2=NNN=N2)SCCC(=O)O

InChI

InChI=1S/C25H38N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-23(32-18-17-24(30)31)20-21-14-13-15-22(19-21)25-26-28-29-27-25/h12-16,19,23H,2-11,17-18,20H2,1H3,(H,30,31)(H,26,27,28,29)/b16-12+