3-oxidanyl-2-phenoxy-7-sulfanylidene-heptanoic acid

Systemtic Name: 3-oxidanyl-2-phenoxy-7-sulfanylidene-heptanoic acid Openeye Name: 3-hydroxy-2-phenoxy-7-thioxo-heptanoic acid CAS Name: 3-hydroxy-2-phenoxy-7-sulfanylideneheptanoic acid IUPAC Name: 3-hydroxy-2-phenoxy-7-sulfanylideneheptanoic acid Traditional Name: 3-hydroxy-2-phenoxy-7-thioxo-enanthic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(C(CCCC=S)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(C(CCCC=S)O)C(=O)O

InChI

InChI=1S/C13H16O4S/c14-11(8-4-5-9-18)12(13(15)16)17-10-6-2-1-3-7-10/h1-3,6-7,9,11-12,14H,4-5,8H2,(H,15,16)