carbamimidoylazanium; 2-(2-carboxyphenyl)sulfanylbenzoate

Systemtic Name: carbamimidoylazanium; 2-(2-carboxyphenyl)sulfanylbenzoate Openeye Name: carbamimidoylammonium; 2-(2-carboxyphenyl)sulfanylbenzoate CAS Name: carbamimidoylammonium; 2-[(2-carboxyphenyl)thio]benzoate IUPAC Name: carbamimidoylazanium; 2-(2-carboxyphenyl)sulfanylbenzoate Traditional Name: amidinoammonium; 2-[(2-carboxyphenyl)thio]benzoate Formula: C29H24N3O8S2- MolecularWeight: 606.64616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC=C2C(=O)[O-].C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC=C2C(=O)[O-].C(=N)([NH3+])N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC=C2C(=O)[O-].C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC=C2C(=O)[O-].C(=N)([NH3+])N

InChI

InChI=1S/2C14H10O4S.CH5N3/c2*15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18;2-1(3)4/h2*1-8H,(H,15,16)(H,17,18);(H5,2,3,4)/p-1