azanium 1,4-di(nonoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: azanium 1,4-di(nonoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: ammonium 1,4-di(nonoxy)-1,4-dioxo-butane-2-sulfonic acid CAS Name: ammonium 1,4-di(nonoxy)-1,4-dioxo-2-butanesulfonic acid IUPAC Name: azanium 1,4-di(nonoxy)-1,4-dioxobutane-2-sulfonic acid Traditional Name: ammonium 1,4-diketo-1,4-di(nonoxy)butane-2-sulfonic acid Formula: C22H46NO7S+ MolecularWeight: 468.66814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCC)S(=O)(=O)O.[NH4+]

Isomeric SMILES

CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCC)S(=O)(=O)O.[NH4+]

InChI

InChI=1S/C22H42O7S.H3N/c1-3-5-7-9-11-13-15-17-28-21(23)19-20(30(25,26)27)22(24)29-18-16-14-12-10-8-6-4-2;/h20H,3-19H2,1-2H3,(H,25,26,27);1H3/p+1