4-[1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylbutanoic acid Openeye Name: 4-[(1,4-dioxo-2-naphthyl)sulfanyl]butanoic acid CAS Name: 4-[(1,4-dioxo-2-naphthalenyl)thio]butanoic acid IUPAC Name: 4-(1,4-dioxonaphthalen-2-yl)sulfanylbutanoic acid Traditional Name: 4-[(1,4-diketo-2-naphthyl)thio]butyric acid Formula: C14H12O4S MolecularWeight: 276.30768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O4S/c15-11-8-12(19-7-3-6-13(16)17)14(18)10-5-2-1-4-9(10)11/h1-2,4-5,8H,3,6-7H2,(H,16,17)