diazanium 4-azanyl-1-dodecoxy-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: diazanium 4-azanyl-1-dodecoxy-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: diammonium 4-amino-1-dodecoxy-1,4-dioxo-butane-2-sulfonate CAS Name: diammonium 4-amino-1-dodecoxy-1,4-dioxo-2-butanesulfonate IUPAC Name: diazanium 4-amino-1-dodecoxy-1,4-dioxobutane-2-sulfonate Traditional Name: diammonium 4-amino-1,4-diketo-1-lauryloxy-butane-2-sulfonate Formula: C32H68N4O12S2 MolecularWeight: 765.03192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(CC(=O)N)S(=O)(=O)[O-].CCCCCCCCCCCCOC(=O)C(CC(=O)N)S(=O)(=O)[O-].[NH4+].[NH4+]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(CC(=O)N)S(=O)(=O)[O-].CCCCCCCCCCCCOC(=O)C(CC(=O)N)S(=O)(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/2C16H31NO6S.2H3N/c2*1-2-3-4-5-6-7-8-9-10-11-12-23-16(19)14(13-15(17)18)24(20,21)22;;/h2*14H,2-13H2,1H3,(H2,17,18)(H,20,21,22);2*1H3