azanium 1,4-bis(8-methylnonoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: azanium 1,4-bis(8-methylnonoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: ammonium 1,4-bis(8-methylnonoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: ammonium 1,4-bis(8-methylnonoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: azanium 1,4-bis(8-methylnonoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: ammonium 1,4-diketo-1,4-bis(8-methylnonoxy)butane-2-sulfonate Formula: C24H49NO7S MolecularWeight: 495.71336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCOC(=O)CC(C(=O)OCCCCCCCC(C)C)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CC(C)CCCCCCCOC(=O)CC(C(=O)OCCCCCCCC(C)C)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C24H46O7S.H3N/c1-20(2)15-11-7-5-9-13-17-30-23(25)19-22(32(27,28)29)24(26)31-18-14-10-6-8-12-16-21(3)4;/h20-22H,5-19H2,1-4H3,(H,27,28,29);1H3