2,4-diphosphono-2-(thiophen-3-ylmethyl)pentanedioic acid

Systemtic Name: 2,4-diphosphono-2-(thiophen-3-ylmethyl)pentanedioic acid Openeye Name: 2,4-diphosphono-2-(3-thienylmethyl)pentanedioic acid CAS Name: 2,4-diphosphono-2-(3-thiophenylmethyl)pentanedioic acid IUPAC Name: 2,4-diphosphono-2-(thiophen-3-ylmethyl)pentanedioic acid Traditional Name: 2,4-diphosphono-2-(3-thenyl)glutaric acid Formula: C10H14O10P2S MolecularWeight: 388.224682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

C1=CSC=C1CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C10H14O10P2S/c11-8(12)7(21(15,16)17)4-10(9(13)14,22(18,19)20)3-6-1-2-23-5-6/h1-2,5,7H,3-4H2,(H,11,12)(H,13,14)(H2,15,16,17)(H2,18,19,20)