methyl 4-[5-methoxy-1,5-bis(oxidanylidene)pentan-2-yl]sulfanylbenzoate

Systemtic Name: methyl 4-[5-methoxy-1,5-bis(oxidanylidene)pentan-2-yl]sulfanylbenzoate Openeye Name: methyl 4-(1-formyl-4-methoxy-4-oxo-butyl)sulfanylbenzoate CAS Name: 4-[(5-methoxy-1,5-dioxopentan-2-yl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-(5-methoxy-1,5-dioxopentan-2-yl)sulfanylbenzoate Traditional Name: 4-[(1-formyl-4-keto-4-methoxy-butyl)thio]benzoic acid methyl ester Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C=O)SC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

COC(=O)CCC(C=O)SC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C14H16O5S/c1-18-13(16)8-7-12(9-15)20-11-5-3-10(4-6-11)14(17)19-2/h3-6,9,12H,7-8H2,1-2H3