sodium 4-heptadecanoyloxy-1,1-bis(oxidanylidene)thiolane-3-sulfonate

Systemtic Name: sodium 4-heptadecanoyloxy-1,1-bis(oxidanylidene)thiolane-3-sulfonate Openeye Name: sodium 4-heptadecanoyloxy-1,1-dioxo-thiolane-3-sulfonate CAS Name: sodium 1,1-dioxo-4-(1-oxoheptadecoxy)-3-thiolanesulfonate IUPAC Name: sodium 4-heptadecanoyloxy-1,1-dioxothiolane-3-sulfonate Traditional Name: sodium 4-heptadecanoyloxy-1,1-diketo-thiolane-3-sulfonate Formula: C21H39NaO7S2 MolecularWeight: 490.64993

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OC1CS(=O)(=O)CC1S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)OC1CS(=O)(=O)CC1S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H40O7S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(22)28-19-17-29(23,24)18-20(19)30(25,26)27;/h19-20H,2-18H2,1H3,(H,25,26,27);/q;+1/p-1