disodium 1,4-dihexoxy-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: disodium 1,4-dihexoxy-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: disodium 1,4-dihexoxy-1,4-dioxo-butane-2-sulfonate CAS Name: disodium 1,4-dihexoxy-1,4-dioxo-2-butanesulfonate IUPAC Name: disodium 1,4-dihexoxy-1,4-dioxobutane-2-sulfonate Traditional Name: disodium 1,4-dihexoxy-1,4-diketo-butane-2-sulfonate Formula: C32H58Na2O14S2 MolecularWeight: 776.90406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(=O)(=O)[O-].CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(=O)(=O)[O-].CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C16H30O7S.2Na/c2*1-3-5-7-9-11-22-15(17)13-14(24(19,20)21)16(18)23-12-10-8-6-4-2;;/h2*14H,3-13H2,1-2H3,(H,19,20,21);;/q;;2*+1/p-2