sodium 1,4-bis(10-methylundecoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 1,4-bis(10-methylundecoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-bis(10-methylundecoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-bis(10-methylundecoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-bis(10-methylundecoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-diketo-1,4-bis(10-methylundecoxy)butane-2-sulfonate Formula: C28H53NaO7S MolecularWeight: 556.77099

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC(C)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC(C)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C28H54O7S.Na/c1-24(2)19-15-11-7-5-9-13-17-21-34-27(29)23-26(36(31,32)33)28(30)35-22-18-14-10-6-8-12-16-20-25(3)4;/h24-26H,5-23H2,1-4H3,(H,31,32,33);/q;+1/p-1