sodium 4-decoxy-1-oxidanyl-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 4-decoxy-1-oxidanyl-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 4-decoxy-1-hydroxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-decoxy-1-hydroxy-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 4-decoxy-1-hydroxy-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 4-decoxy-1-hydroxy-1,4-diketo-butane-2-sulfonate Formula: C14H25NaO7S MolecularWeight: 360.39887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26O7S.Na/c1-2-3-4-5-6-7-8-9-10-21-13(15)11-12(14(16)17)22(18,19)20;/h12H,2-11H2,1H3,(H,16,17)(H,18,19,20);/q;+1/p-1