3-carbamimidoyl-5-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]benzoic acid

Systemtic Name: 3-carbamimidoyl-5-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]benzoic acid Openeye Name: 3-carbamimidoyl-5-[(1S,2R)-1,2,3-trihydroxypropyl]benzoic acid CAS Name: 3-carbamimidoyl-5-[(1S,2R)-1,2,3-trihydroxypropyl]benzoic acid IUPAC Name: 3-carbamimidoyl-5-[(1S,2R)-1,2,3-trihydroxypropyl]benzoic acid Traditional Name: 3-amidino-5-[(1S,2R)-1,2,3-trihydroxypropyl]benzoic acid Formula: C11H14N2O5 MolecularWeight: 254.23926

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=N)N)C(=O)O)C(C(CO)O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=N)N)C(=O)O)[C@@H]([C@@H](CO)O)O

InChI

InChI=1S/C11H14N2O5/c12-10(13)6-1-5(9(16)8(15)4-14)2-7(3-6)11(17)18/h1-3,8-9,14-16H,4H2,(H3,12,13)(H,17,18)/t8-,9+/m1/s1