4-cyclohexyloxy-1,4-bis(oxidanylidene)-1-propan-2-yloxy-butane-2-sulfonic acid

Systemtic Name: 4-cyclohexyloxy-1,4-bis(oxidanylidene)-1-propan-2-yloxy-butane-2-sulfonic acid Openeye Name: 4-(cyclohexoxy)-1-isopropoxy-1,4-dioxo-butane-2-sulfonic acid CAS Name: 4-cyclohexyloxy-1,4-dioxo-1-propan-2-yloxy-2-butanesulfonic acid IUPAC Name: 4-cyclohexyloxy-1,4-dioxo-1-propan-2-yloxybutane-2-sulfonic acid Traditional Name: 4-(cyclohexoxy)-1-isopropoxy-1,4-diketo-butane-2-sulfonic acid Formula: C13H22O7S MolecularWeight: 322.37458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC(=O)OC1CCCCC1)S(=O)(=O)O

Isomeric SMILES

CC(C)OC(=O)C(CC(=O)OC1CCCCC1)S(=O)(=O)O

InChI

InChI=1S/C13H22O7S/c1-9(2)19-13(15)11(21(16,17)18)8-12(14)20-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3,(H,16,17,18)