2-phenethyl-3-phosphono-butanedioic acid

Systemtic Name: 2-phenethyl-3-phosphono-butanedioic acid Openeye Name: 2-phenethyl-3-phosphono-butanedioic acid CAS Name: 2-phenethyl-3-phosphonobutanedioic acid IUPAC Name: 2-phenethyl-3-phosphonobutanedioic acid Traditional Name: 2-phenethyl-3-phosphono-succinic acid Formula: C12H15O7P MolecularWeight: 302.217061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C12H15O7P/c13-11(14)9(10(12(15)16)20(17,18)19)7-6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)(H,15,16)(H2,17,18,19)