2-[4-(4-carbamimidoylphenyl)phenyl]-3-phosphono-butanedioic acid

Systemtic Name: 2-[4-(4-carbamimidoylphenyl)phenyl]-3-phosphono-butanedioic acid Openeye Name: 2-[4-(4-carbamimidoylphenyl)phenyl]-3-phosphono-butanedioic acid CAS Name: 2-[4-(4-carbamimidoylphenyl)phenyl]-3-phosphonobutanedioic acid IUPAC Name: 2-[4-(4-carbamimidoylphenyl)phenyl]-3-phosphonobutanedioic acid Traditional Name: 2-[4-(4-amidinophenyl)phenyl]-3-phosphono-succinic acid Formula: C17H17N2O7P MolecularWeight: 392.299841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)C(=N)N)C(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)C(=N)N)C(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C17H17N2O7P/c18-15(19)12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(16(20)21)14(17(22)23)27(24,25)26/h1-8,13-14H,(H3,18,19)(H,20,21)(H,22,23)(H2,24,25,26)