4-naphthalen-1-yl-4-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]butanoic acid

Systemtic Name: 4-naphthalen-1-yl-4-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]butanoic acid Openeye Name: 3-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-(1-naphthyl)-4-oxo-butanoic acid CAS Name: 3-[[(1-hydroxy-1-oxopropan-2-yl)thio]methyl]-4-(1-naphthalenyl)-4-oxobutanoic acid IUPAC Name: 3-[(1-hydroxy-1-oxopropan-2-yl)sulfanylmethyl]-4-naphthalen-1-yl-4-oxobutanoic acid Traditional Name: 3-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]methyl]-4-keto-4-(1-naphthyl)butyric acid Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(CC(=O)O)C(=O)C1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(C(=O)O)SCC(CC(=O)O)C(=O)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C18H18O5S/c1-11(18(22)23)24-10-13(9-16(19)20)17(21)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,11,13H,9-10H2,1H3,(H,19,20)(H,22,23)