sodium 1,4-dihexoxy-1,4-bis(oxidanylidene)butane-2-sulfonate hydrate

Systemtic Name: sodium 1,4-dihexoxy-1,4-bis(oxidanylidene)butane-2-sulfonate hydrate Openeye Name: sodium 1,4-dihexoxy-1,4-dioxo-butane-2-sulfonate hydrate CAS Name: sodium 1,4-dihexoxy-1,4-dioxo-2-butanesulfonate hydrate IUPAC Name: sodium 1,4-dihexoxy-1,4-dioxobutane-2-sulfonate hydrate Traditional Name: sodium 1,4-dihexoxy-1,4-diketo-butane-2-sulfonate hydrate Formula: C16H31NaO8S MolecularWeight: 406.46731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O7S.Na.H2O/c1-3-5-7-9-11-22-15(17)13-14(24(19,20)21)16(18)23-12-10-8-6-4-2;;/h14H,3-13H2,1-2H3,(H,19,20,21);;1H2/q;+1;/p-1