disodium 4-azanyl-1-(octadecylamino)-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: disodium 4-azanyl-1-(octadecylamino)-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: disodium 4-amino-1-(octadecylamino)-1,4-dioxo-butane-2-sulfonic acid CAS Name: disodium 4-amino-1-(octadecylamino)-1,4-dioxo-2-butanesulfonic acid IUPAC Name: disodium 4-amino-1-(octadecylamino)-1,4-dioxobutane-2-sulfonic acid Traditional Name: disodium 4-amino-1,4-diketo-1-(stearylamino)butane-2-sulfonic acid Formula: C22H44N2Na2O5S+2 MolecularWeight: 494.6397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H44N2O5S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22(26)20(19-21(23)25)30(27,28)29;;/h20H,2-19H2,1H3,(H2,23,25)(H,24,26)(H,27,28,29);;/q;2*+1