2-[[(2S)-4-chloranyl-5-oxidanylidene-2-phenacyl-2H-furan-3-yl]sulfanyl]benzoic acid

Systemtic Name: 2-[[(2S)-4-chloranyl-5-oxidanylidene-2-phenacyl-2H-furan-3-yl]sulfanyl]benzoic acid Openeye Name: 2-[[(2S)-4-chloro-5-oxo-2-phenacyl-2H-furan-3-yl]sulfanyl]benzoic acid CAS Name: 2-[[(2S)-4-chloro-5-oxo-2-phenacyl-2H-furan-3-yl]thio]benzoic acid IUPAC Name: 2-[[(2S)-4-chloro-5-oxo-2-phenacyl-2H-furan-3-yl]sulfanyl]benzoic acid Traditional Name: 2-[[(2S)-4-chloro-5-keto-2-phenacyl-2H-furan-3-yl]thio]benzoic acid Formula: C19H13ClO5S MolecularWeight: 388.82152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC2C(=C(C(=O)O2)Cl)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[C@H]2C(=C(C(=O)O2)Cl)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H13ClO5S/c20-16-17(26-15-9-5-4-8-12(15)18(22)23)14(25-19(16)24)10-13(21)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,22,23)/t14-/m0/s1