2-[5-chloranyl-8-oxidanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[5-chloranyl-8-oxidanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 2-[(5-chloro-8-hydroxy-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid CAS Name: 2-[(5-chloro-8-hydroxy-1,4-dioxo-2-naphthalenyl)thio]propanoic acid IUPAC Name: 2-(5-chloro-8-hydroxy-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid Traditional Name: 2-[(5-chloro-8-hydroxy-1,4-diketo-2-naphthyl)thio]propionic acid Formula: C13H9ClO5S MolecularWeight: 312.72556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC(=O)C2=C(C=CC(=C2C1=O)O)Cl

Isomeric SMILES

CC(C(=O)O)SC1=CC(=O)C2=C(C=CC(=C2C1=O)O)Cl

InChI

InChI=1S/C13H9ClO5S/c1-5(13(18)19)20-9-4-8(16)10-6(14)2-3-7(15)11(10)12(9)17/h2-5,15H,1H3,(H,18,19)