2-[(2-methoxyphenyl)methyl]-3-phosphono-butanedioic acid

Systemtic Name: 2-[(2-methoxyphenyl)methyl]-3-phosphono-butanedioic acid Openeye Name: 2-[(2-methoxyphenyl)methyl]-3-phosphono-butanedioic acid CAS Name: 2-[(2-methoxyphenyl)methyl]-3-phosphonobutanedioic acid IUPAC Name: 2-[(2-methoxyphenyl)methyl]-3-phosphonobutanedioic acid Traditional Name: 2-o-anisyl-3-phosphono-succinic acid Formula: C12H15O8P MolecularWeight: 318.216461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1CC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C12H15O8P/c1-20-9-5-3-2-4-7(9)6-8(11(13)14)10(12(15)16)21(17,18)19/h2-5,8,10H,6H2,1H3,(H,13,14)(H,15,16)(H2,17,18,19)