3-oxidanylidene-1-phenyl-butane-1,1-disulfonic acid

Systemtic Name: 3-oxidanylidene-1-phenyl-butane-1,1-disulfonic acid Openeye Name: 3-oxo-1-phenyl-butane-1,1-disulfonic acid CAS Name: 3-oxo-1-phenylbutane-1,1-disulfonic acid IUPAC Name: 3-oxo-1-phenylbutane-1,1-disulfonic acid Traditional Name: 3-keto-1-phenyl-butane-1,1-disulfonic acid Formula: C10H12O7S2 MolecularWeight: 308.32808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=CC=C1)(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(C1=CC=CC=C1)(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H12O7S2/c1-8(11)7-10(18(12,13)14,19(15,16)17)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,14)(H,15,16,17)