3-[3-(hydroxymethyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[3-(hydroxymethyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[3-(hydroxymethyl)-1,4-dioxo-2-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[3-(hydroxymethyl)-1,4-dioxo-2-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[3-(hydroxymethyl)-1,4-dioxonaphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 3-[(1,4-diketo-3-methylol-2-naphthyl)thio]propionic acid Formula: C14H12O5S MolecularWeight: 292.30708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)SCCC(=O)O)CO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)SCCC(=O)O)CO

InChI

InChI=1S/C14H12O5S/c15-7-10-12(18)8-3-1-2-4-9(8)13(19)14(10)20-6-5-11(16)17/h1-4,15H,5-7H2,(H,16,17)