4-methoxy-1,4-bis(oxidanylidene)-1-phenyl-butane-2-sulfonic acid

Systemtic Name: 4-methoxy-1,4-bis(oxidanylidene)-1-phenyl-butane-2-sulfonic acid Openeye Name: 4-methoxy-1,4-dioxo-1-phenyl-butane-2-sulfonic acid CAS Name: 4-methoxy-1,4-dioxo-1-phenyl-2-butanesulfonic acid IUPAC Name: 4-methoxy-1,4-dioxo-1-phenylbutane-2-sulfonic acid Traditional Name: 1,4-diketo-4-methoxy-1-phenyl-butane-2-sulfonic acid Formula: C11H12O6S MolecularWeight: 272.27438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O6S/c1-17-10(12)7-9(18(14,15)16)11(13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,14,15,16)