carbamimidoylazanium; 2-(2-carboxylatophenyl)sulfanylbenzoate

Systemtic Name: carbamimidoylazanium; 2-(2-carboxylatophenyl)sulfanylbenzoate Openeye Name: carbamimidoylammonium; 2-(2-carboxylatophenyl)sulfanylbenzoate CAS Name: carbamimidoylammonium; 2-[(2-carboxylatophenyl)thio]benzoate IUPAC Name: carbamimidoylazanium; 2-(2-carboxylatophenyl)sulfanylbenzoate Traditional Name: amidinoammonium; 2-[(2-carboxylatophenyl)thio]benzoate Formula: C30H28N6O8S2-2 MolecularWeight: 664.70872

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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.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.C(=N)([NH3+])N

InChI

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