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

Systemtic Name: sodium 1,4-dioctadecoxy-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-dioctadecoxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-dioctadecoxy-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-dioctadecoxy-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-diketo-1,4-distearyloxy-butane-2-sulfonate Formula: C40H77NaO7S MolecularWeight: 725.08995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H78O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-46-39(41)37-38(48(43,44)45)40(42)47-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h38H,3-37H2,1-2H3,(H,43,44,45);/q;+1/p-1