4-butyl-1-phenoxy-octane-1-sulfonic acid; 4-nonyl-1-phenoxy-tridecane-1-sulfonic acid

Systemtic Name: 4-butyl-1-phenoxy-octane-1-sulfonic acid; 4-nonyl-1-phenoxy-tridecane-1-sulfonic acid Openeye Name: 4-butyl-1-phenoxy-octane-1-sulfonic acid; 4-nonyl-1-phenoxy-tridecane-1-sulfonic acid CAS Name: 4-butyl-1-phenoxy-1-octanesulfonic acid; 4-nonyl-1-phenoxy-1-tridecanesulfonic acid IUPAC Name: 4-butyl-1-phenoxyoctane-1-sulfonic acid; 4-nonyl-1-phenoxytridecane-1-sulfonic acid Traditional Name: 4-butyl-1-phenoxy-octane-1-sulfonic acid; 4-nonyl-1-phenoxy-tridecane-1-sulfonic acid Formula: C46H80O8S2 MolecularWeight: 825.2526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCCC)CCC(OC1=CC=CC=C1)S(=O)(=O)O.CCCCC(CCCC)CCC(OC1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCCC)CCC(OC1=CC=CC=C1)S(=O)(=O)O.CCCCC(CCCC)CCC(OC1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C28H50O4S.C18H30O4S/c1-3-5-7-9-11-13-16-20-26(21-17-14-12-10-8-6-4-2)24-25-28(33(29,30)31)32-27-22-18-15-19-23-27;1-3-5-10-16(11-6-4-2)14-15-18(23(19,20)21)22-17-12-8-7-9-13-17/h15,18-19,22-23,26,28H,3-14,16-17,20-21,24-25H2,1-2H3,(H,29,30,31);7-9,12-13,16,18H,3-6,10-11,14-15H2,1-2H3,(H,19,20,21)