4-[3-(4-carboxyphenyl)-2-methylsulfanyl-3-oxidanylidene-propanoyl]benzoic acid

Systemtic Name: 4-[3-(4-carboxyphenyl)-2-methylsulfanyl-3-oxidanylidene-propanoyl]benzoic acid Openeye Name: 4-[3-(4-carboxyphenyl)-2-methylsulfanyl-3-oxo-propanoyl]benzoic acid CAS Name: 4-[3-(4-carboxyphenyl)-2-(methylthio)-1,3-dioxopropyl]benzoic acid IUPAC Name: 4-[3-(4-carboxyphenyl)-2-methylsulfanyl-3-oxopropanoyl]benzoic acid Traditional Name: 4-[3-(4-carboxyphenyl)-3-keto-2-(methylthio)propanoyl]benzoic acid Formula: C18H14O6S MolecularWeight: 358.36516

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C(=O)C1=CC=C(C=C1)C(=O)O)C(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CSC(C(=O)C1=CC=C(C=C1)C(=O)O)C(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H14O6S/c1-25-16(14(19)10-2-6-12(7-3-10)17(21)22)15(20)11-4-8-13(9-5-11)18(23)24/h2-9,16H,1H3,(H,21,22)(H,23,24)