2-[(4-methylphenyl)methyl]-3-phosphono-butanedioic acid

Systemtic Name: 2-[(4-methylphenyl)methyl]-3-phosphono-butanedioic acid Openeye Name: 2-phosphono-3-(p-tolylmethyl)butanedioic acid CAS Name: 2-[(4-methylphenyl)methyl]-3-phosphonobutanedioic acid IUPAC Name: 2-[(4-methylphenyl)methyl]-3-phosphonobutanedioic acid Traditional Name: 2-(4-methylbenzyl)-3-phosphono-succinic acid Formula: C12H15O7P MolecularWeight: 302.217061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C12H15O7P/c1-7-2-4-8(5-3-7)6-9(11(13)14)10(12(15)16)20(17,18)19/h2-5,9-10H,6H2,1H3,(H,13,14)(H,15,16)(H2,17,18,19)