methyl 7-(4-methylsulfonylphenyl)-4,7-bis(oxidanylidene)heptanoate

Systemtic Name: methyl 7-(4-methylsulfonylphenyl)-4,7-bis(oxidanylidene)heptanoate Openeye Name: methyl 7-(4-methylsulfonylphenyl)-4,7-dioxo-heptanoate CAS Name: 7-(4-methylsulfonylphenyl)-4,7-dioxoheptanoic acid methyl ester IUPAC Name: methyl 7-(4-methylsulfonylphenyl)-4,7-dioxoheptanoate Traditional Name: 4,7-diketo-7-(4-mesylphenyl)enanthic acid methyl ester Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)CCC(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCC(=O)CCC(=O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C15H18O6S/c1-21-15(18)10-6-12(16)5-9-14(17)11-3-7-13(8-4-11)22(2,19)20/h3-4,7-8H,5-6,9-10H2,1-2H3