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

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

Systemtic Name:2-[4-(4-carbamimidoylphenyl)phenoxy]-3-phosphono-butanedioic acid
Openeye Name:2-[4-(4-carbamimidoylphenyl)phenoxy]-3-phosphono-butanedioic acid
CAS Name:2-[4-(4-carbamimidoylphenyl)phenoxy]-3-phosphonobutanedioic acid
IUPAC Name:2-[4-(4-carbamimidoylphenyl)phenoxy]-3-phosphonobutanedioic acid
Traditional Name:2-[4-(4-amidinophenyl)phenoxy]-3-phosphono-succinic acid
Formula: C17H17N2O8P
MolecularWeight: 408.299241
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H17N2O8P/c18-15(19)11-3-1-9(2-4-11)10-5-7-12(8-6-10)27-13(16(20)21)14(17(22)23)28(24,25)26/h1-8,13-14H,(H3,18,19)(H,20,21)(H,22,23)(H2,24,25,26)


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