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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCC(=O)O

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCC(=O)O

InChI

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