2,4-diphosphono-2-thiophen-3-yl-pentanedioic acid

Systemtic Name: 2,4-diphosphono-2-thiophen-3-yl-pentanedioic acid Openeye Name: 2,4-diphosphono-2-(3-thienyl)pentanedioic acid CAS Name: 2,4-diphosphono-2-(3-thiophenyl)pentanedioic acid IUPAC Name: 2,4-diphosphono-2-thiophen-3-ylpentanedioic acid Traditional Name: 2,4-diphosphono-2-(3-thienyl)glutaric acid Formula: C9H12O10P2S MolecularWeight: 374.198102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

C1=CSC=C1C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C9H12O10P2S/c10-7(11)6(20(14,15)16)3-9(8(12)13,21(17,18)19)5-1-2-22-4-5/h1-2,4,6H,3H2,(H,10,11)(H,12,13)(H2,14,15,16)(H2,17,18,19)