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

Systemtic Name: 3-[1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[(1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid CAS Name: 3-[(1,4-dioxo-2-naphthalenyl)thio]propanoic acid IUPAC Name: 3-(1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(1,4-diketo-2-naphthyl)thio]propionic acid Formula: C13H10O4S MolecularWeight: 262.2811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10O4S/c14-10-7-11(18-6-5-12(15)16)13(17)9-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,15,16)