calcium 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: calcium 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: calcium 1,4-dioctoxy-1,4-dioxo-butane-2-sulfonic acid CAS Name: calcium 1,4-dioctoxy-1,4-dioxo-2-butanesulfonic acid IUPAC Name: calcium 1,4-dioctoxy-1,4-dioxobutane-2-sulfonic acid Traditional Name: calcium 1,4-diketo-1,4-dioctoxy-butane-2-sulfonic acid Formula: C20H38CaO7S+2 MolecularWeight: 462.65452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O.[Ca+2]

Isomeric SMILES

CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O.[Ca+2]

InChI

InChI=1S/C20H38O7S.Ca/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;/h18H,3-17H2,1-2H3,(H,23,24,25);/q;+2