disodium 4-azanyl-1-[dodecyl(methyl)amino]-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: disodium 4-azanyl-1-[dodecyl(methyl)amino]-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: disodium 4-amino-1-[dodecyl(methyl)amino]-1,4-dioxo-butane-2-sulfonate CAS Name: disodium 4-amino-1-[dodecyl(methyl)amino]-1,4-dioxo-2-butanesulfonate IUPAC Name: disodium 4-amino-1-[dodecyl(methyl)amino]-1,4-dioxobutane-2-sulfonate Traditional Name: disodium 4-amino-1,4-diketo-1-[lauryl(methyl)amino]butane-2-sulfonate Formula: C34H66N4Na2O10S2 MolecularWeight: 801.01818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(C)C(=O)C(CC(=O)N)S(=O)(=O)[O-].CCCCCCCCCCCCN(C)C(=O)C(CC(=O)N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCN(C)C(=O)C(CC(=O)N)S(=O)(=O)[O-].CCCCCCCCCCCCN(C)C(=O)C(CC(=O)N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C17H34N2O5S.2Na/c2*1-3-4-5-6-7-8-9-10-11-12-13-19(2)17(21)15(14-16(18)20)25(22,23)24;;/h2*15H,3-14H2,1-2H3,(H2,18,20)(H,22,23,24);;/q;;2*+1/p-2