[4-(3-oxidanylidenebutanoyl)phenyl] methanesulfinate

Systemtic Name: [4-(3-oxidanylidenebutanoyl)phenyl] methanesulfinate Openeye Name: [4-(3-oxobutanoyl)phenyl] methanesulfinate CAS Name: methanesulfinic acid [4-(1,3-dioxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutanoyl)phenyl] methanesulfinate Traditional Name: methanesulfinic acid (4-acetoacetylphenyl) ester Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=CC=C(C=C1)OS(=O)C

Isomeric SMILES

CC(=O)CC(=O)C1=CC=C(C=C1)OS(=O)C

InChI

InChI=1S/C11H12O4S/c1-8(12)7-11(13)9-3-5-10(6-4-9)15-16(2)14/h3-6H,7H2,1-2H3