dilithium; 3-[5-(aminomethyl)-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-1H-pyrrol-3-yl]propanoate; 2-phenylethanoic acid

Systemtic Name: dilithium; 3-[5-(aminomethyl)-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-1H-pyrrol-3-yl]propanoate; 2-phenylethanoic acid Openeye Name: dilithium; 3-[5-(aminomethyl)-4-(2-oxido-2-oxo-ethyl)-1H-pyrrol-3-yl]propanoate; 2-phenylacetic acid CAS Name: dilithium; 3-[5-(aminomethyl)-4-(2-oxido-2-oxoethyl)-1H-pyrrol-3-yl]propanoate; 2-phenylacetic acid IUPAC Name: dilithium; 3-[5-(aminomethyl)-4-(2-oxido-2-oxoethyl)-1H-pyrrol-3-yl]propanoate; 2-phenylacetic acid Traditional Name: dilithium; 3-[5-(aminomethyl)-4-(2-keto-2-oxido-ethyl)-1H-pyrrol-3-yl]propionate; 2-phenylacetic acid Formula: C18H20Li2N2O6 MolecularWeight: 374.2432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].C1=CC=C(C=C1)CC(=O)O.C1=C(C(=C(N1)CN)CC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

[Li+].[Li+].C1=CC=C(C=C1)CC(=O)O.C1=C(C(=C(N1)CN)CC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C10H14N2O4.C8H8O2.2Li/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14;9-8(10)6-7-4-2-1-3-5-7;;/h5,12H,1-4,11H2,(H,13,14)(H,15,16);1-5H,6H2,(H,9,10);;/q;;2*+1/p-2