2-(2-methylthiophen-3-yl)-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-(2-methylthiophen-3-yl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(2-methyl-3-thienyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(2-methyl-3-thiophenyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(2-methylthiophen-3-yl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(2-methyl-3-thienyl)-2,4-diphosphono-glutaric acid Formula: C10H14O10P2S MolecularWeight: 388.224682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CS1)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CC1=C(C=CS1)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C10H14O10P2S/c1-5-6(2-3-23-5)10(9(13)14,22(18,19)20)4-7(8(11)12)21(15,16)17/h2-3,7H,4H2,1H3,(H,11,12)(H,13,14)(H2,15,16,17)(H2,18,19,20)