2-oxidanylidene-3-[3,4,5-tris(2-carboxyethyl)-2H-thiopyran-6-yl]propanoic acid

Systemtic Name: 2-oxidanylidene-3-[3,4,5-tris(2-carboxyethyl)-2H-thiopyran-6-yl]propanoic acid Openeye Name: 2-oxo-3-[3,4,5-tris(2-carboxyethyl)-2H-thiopyran-6-yl]propanoic acid CAS Name: 2-oxo-3-[3,4,5-tris(2-carboxyethyl)-2H-thiopyran-6-yl]propanoic acid IUPAC Name: 2-oxo-3-[3,4,5-tris(2-carboxyethyl)-2H-thiopyran-6-yl]propanoic acid Traditional Name: 2-keto-3-[3,4,5-tris(2-carboxyethyl)-2H-thiopyran-6-yl]propionic acid Formula: C17H20O9S MolecularWeight: 400.4003

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C(=C(S1)CC(=O)C(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1C(=C(C(=C(S1)CC(=O)C(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C17H20O9S/c18-12(17(25)26)7-13-11(3-6-16(23)24)10(2-5-15(21)22)9(8-27-13)1-4-14(19)20/h1-8H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)