sodium 2,5-bis(octadecanoylamino)benzenesulfonate

Systemtic Name: sodium 2,5-bis(octadecanoylamino)benzenesulfonate Openeye Name: sodium 2,5-bis(octadecanoylamino)benzenesulfonate CAS Name: sodium 2,5-bis(1-oxooctadecylamino)benzenesulfonate IUPAC Name: sodium 2,5-bis(octadecanoylamino)benzenesulfonate Traditional Name: sodium 2,5-distearamidobesylate Formula: C42H75N2NaO5S MolecularWeight: 743.11007

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)NC(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)NC(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C42H76N2O5S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)43-38-35-36-39(40(37-38)50(47,48)49)44-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35-37H,3-34H2,1-2H3,(H,43,45)(H,44,46)(H,47,48,49);/q;+1/p-1