3,5-bis(octadecanoylamino)benzenesulfonic acid

Systemtic Name: 3,5-bis(octadecanoylamino)benzenesulfonic acid Openeye Name: 3,5-bis(octadecanoylamino)benzenesulfonic acid CAS Name: 3,5-bis(1-oxooctadecylamino)benzenesulfonic acid IUPAC Name: 3,5-bis(octadecanoylamino)benzenesulfonic acid Traditional Name: 3,5-distearamidobesylic acid Formula: C42H76N2O5S MolecularWeight: 721.12824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)S(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)S(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C42H76N2O5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)43-38-35-39(37-40(36-38)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)