4-[2-methylsulfanyl-5-(phenylmethyl)phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[2-methylsulfanyl-5-(phenylmethyl)phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-(5-benzyl-2-methylsulfanyl-phenyl)-2,4-dioxo-butanoic acid CAS Name: 4-[2-(methylthio)-5-(phenylmethyl)phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-(5-benzyl-2-methylsulfanylphenyl)-2,4-dioxobutanoic acid Traditional Name: 4-[5-benzyl-2-(methylthio)phenyl]-2,4-diketo-butyric acid Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)CC2=CC=CC=C2)C(=O)CC(=O)C(=O)O

Isomeric SMILES

CSC1=C(C=C(C=C1)CC2=CC=CC=C2)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C18H16O4S/c1-23-17-8-7-13(9-12-5-3-2-4-6-12)10-14(17)15(19)11-16(20)18(21)22/h2-8,10H,9,11H2,1H3,(H,21,22)