3-[5-(hydroxymethyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[5-(hydroxymethyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[5-(hydroxymethyl)-1,4-dioxo-2-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[5-(hydroxymethyl)-1,4-dioxo-2-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[5-(hydroxymethyl)-1,4-dioxonaphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 3-[(1,4-diketo-5-methylol-2-naphthyl)thio]propionic acid Formula: C14H12O5S MolecularWeight: 292.30708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CO)C(=O)C=C(C2=O)SCCC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)CO)C(=O)C=C(C2=O)SCCC(=O)O

InChI

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