2-phosphono-3-(thiolan-2-ylmethyl)butanedioic acid

Systemtic Name: 2-phosphono-3-(thiolan-2-ylmethyl)butanedioic acid Openeye Name: 2-phosphono-3-(tetrahydrothiophen-2-ylmethyl)butanedioic acid CAS Name: 2-phosphono-3-(2-thiolanylmethyl)butanedioic acid IUPAC Name: 2-phosphono-3-(thiolan-2-ylmethyl)butanedioic acid Traditional Name: 2-phosphono-3-(tetrahydrothiophen-2-ylmethyl)succinic acid Formula: C9H15O7PS MolecularWeight: 298.249961

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(SC1)CC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1CC(SC1)CC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C9H15O7PS/c10-8(11)6(4-5-2-1-3-18-5)7(9(12)13)17(14,15)16/h5-7H,1-4H2,(H,10,11)(H,12,13)(H2,14,15,16)