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

Systemtic Name: 4-[5-chloranyl-8-oxidanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylbutanoic acid Openeye Name: 4-[(5-chloro-8-hydroxy-1,4-dioxo-2-naphthyl)sulfanyl]butanoic acid CAS Name: 4-[(5-chloro-8-hydroxy-1,4-dioxo-2-naphthalenyl)thio]butanoic acid IUPAC Name: 4-(5-chloro-8-hydroxy-1,4-dioxonaphthalen-2-yl)sulfanylbutanoic acid Traditional Name: 4-[(5-chloro-8-hydroxy-1,4-diketo-2-naphthyl)thio]butyric acid Formula: C14H11ClO5S MolecularWeight: 326.75214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=O)C=C(C(=O)C2=C1O)SCCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=C2C(=O)C=C(C(=O)C2=C1O)SCCCC(=O)O)Cl

InChI

InChI=1S/C14H11ClO5S/c15-7-3-4-8(16)13-12(7)9(17)6-10(14(13)20)21-5-1-2-11(18)19/h3-4,6,16H,1-2,5H2,(H,18,19)