2,4-bis(octadecanoylamino)benzenesulfonic acid; sodium

Systemtic Name: 2,4-bis(octadecanoylamino)benzenesulfonic acid; sodium Openeye Name: 2,4-bis(octadecanoylamino)benzenesulfonic acid; sodium CAS Name: 2,4-bis(1-oxooctadecylamino)benzenesulfonic acid; sodium IUPAC Name: 2,4-bis(octadecanoylamino)benzenesulfonic acid; sodium Traditional Name: 2,4-distearamidobesylic acid; sodium Formula: C42H76N2NaO5S MolecularWeight: 744.11801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCCCC.[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)43-38-35-36-40(50(47,48)49)39(37-38)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);