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

Systemtic Name: disodium 4-azanyl-1-dodecoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: disodium 4-amino-1-dodecoxy-1,4-dioxo-butane-2-sulfonic acid CAS Name: disodium 4-amino-1-dodecoxy-1,4-dioxo-2-butanesulfonic acid IUPAC Name: disodium 4-amino-1-dodecoxy-1,4-dioxobutane-2-sulfonic acid Traditional Name: disodium 4-amino-1,4-diketo-1-lauryloxy-butane-2-sulfonic acid Formula: C16H31NNa2O6S+2 MolecularWeight: 411.46498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-23-16(19)14(13-15(17)18)24(20,21)22;;/h14H,2-13H2,1H3,(H2,17,18)(H,20,21,22);;/q;2*+1