3-oxidanyl-2-(3-phenoxypropyl)thiolane-3,4-dicarboxylic acid

Systemtic Name: 3-oxidanyl-2-(3-phenoxypropyl)thiolane-3,4-dicarboxylic acid Openeye Name: 3-hydroxy-2-(3-phenoxypropyl)tetrahydrothiophene-3,4-dicarboxylic acid CAS Name: 3-hydroxy-2-(3-phenoxypropyl)thiolane-3,4-dicarboxylic acid IUPAC Name: 3-hydroxy-2-(3-phenoxypropyl)thiolane-3,4-dicarboxylic acid Traditional Name: 3-hydroxy-2-(3-phenoxypropyl)tetrahydrothiophene-3,4-dicarboxylic acid Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(S1)CCCOC2=CC=CC=C2)(C(=O)O)O)C(=O)O

Isomeric SMILES

C1C(C(C(S1)CCCOC2=CC=CC=C2)(C(=O)O)O)C(=O)O

InChI

InChI=1S/C15H18O6S/c16-13(17)11-9-22-12(15(11,20)14(18)19)7-4-8-21-10-5-2-1-3-6-10/h1-3,5-6,11-12,20H,4,7-9H2,(H,16,17)(H,18,19)