2-azanyl-3-[4-(phenylcarbonyl)-2,3,5,6-tetratritio-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(phenylcarbonyl)-2,3,5,6-tetratritio-phenyl]propanoic acid Openeye Name: 2-amino-3-(4-benzoyl-2,3,5,6-tetratritio-phenyl)propanoic acid CAS Name: 2-amino-3-(4-benzoyl-2,3,5,6-tetratritiophenyl)propanoic acid IUPAC Name: 2-amino-3-(4-benzoyl-2,3,5,6-tetratritiophenyl)propanoic acid Traditional Name: 2-amino-3-(4-benzoyl-2,3,5,6-tetratritio-phenyl)propionic acid Formula: C16H15NO3 MolecularWeight: 277.327637

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CC(C(=O)O)N

Isomeric SMILES

[3H]C1=C(C(=C(C(=C1CC(C(=O)O)N)[3H])[3H])C(=O)C2=CC=CC=C2)[3H]

InChI

InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/i6T,7T,8T,9T