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

Systemtic Name: 3-[5-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[(5-methyl-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid CAS Name: 3-[(5-methyl-1,4-dioxo-2-naphthalenyl)thio]propanoic acid IUPAC Name: 3-(5-methyl-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(1,4-diketo-5-methyl-2-naphthyl)thio]propionic acid Formula: C14H12O4S MolecularWeight: 276.30768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)C=C(C2=O)SCCC(=O)O

Isomeric SMILES

CC1=CC=CC2=C1C(=O)C=C(C2=O)SCCC(=O)O

InChI

InChI=1S/C14H12O4S/c1-8-3-2-4-9-13(8)10(15)7-11(14(9)18)19-6-5-12(16)17/h2-4,7H,5-6H2,1H3,(H,16,17)