sodium 4-[(Z)-octadec-9-enoxy]-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 4-[(Z)-octadec-9-enoxy]-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 4-[(Z)-octadec-9-enoxy]-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-[(Z)-octadec-9-enoxy]-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 4-[(Z)-octadec-9-enoxy]-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-diketo-4-[(Z)-octadec-9-enoxy]butane-2-sulfonate Formula: C22H39NaO6S MolecularWeight: 454.59623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCOC(=O)CC(C=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H40O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-22(24)19-21(20-23)29(25,26)27;/h9-10,20-21H,2-8,11-19H2,1H3,(H,25,26,27);/q;+1/p-1/b10-9-;