4-octadecan-2-yl-2,5-bis(oxidanyl)benzenesulfonate

Systemtic Name: 4-octadecan-2-yl-2,5-bis(oxidanyl)benzenesulfonate Openeye Name: 2,5-dihydroxy-4-(1-methylheptadecyl)benzenesulfonate CAS Name: 2,5-dihydroxy-4-octadecan-2-ylbenzenesulfonate IUPAC Name: 2,5-dihydroxy-4-octadecan-2-ylbenzenesulfonate Traditional Name: 2,5-dihydroxy-4-(1-methylheptadecyl)besylate Formula: C24H41O5S- MolecularWeight: 441.64434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C1=CC(=C(C=C1O)S(=O)(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C1=CC(=C(C=C1O)S(=O)(=O)[O-])O

InChI

InChI=1S/C24H42O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)21-18-23(26)24(19-22(21)25)30(27,28)29/h18-20,25-26H,3-17H2,1-2H3,(H,27,28,29)/p-1