4-oxidanylidene-4-phenyl-butane-1,1-disulfonic acid

Systemtic Name: 4-oxidanylidene-4-phenyl-butane-1,1-disulfonic acid Openeye Name: 4-oxo-4-phenyl-butane-1,1-disulfonic acid CAS Name: 4-oxo-4-phenylbutane-1,1-disulfonic acid IUPAC Name: 4-oxo-4-phenylbutane-1,1-disulfonic acid Traditional Name: 4-keto-4-phenyl-butane-1,1-disulfonic acid Formula: C10H12O7S2 MolecularWeight: 308.32808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O7S2/c11-9(8-4-2-1-3-5-8)6-7-10(18(12,13)14)19(15,16)17/h1-5,10H,6-7H2,(H,12,13,14)(H,15,16,17)