1-[1,1-bis(oxidanyl)propoxysulfonyl]-3,4-di(nonyl)naphthalene-2-sulfonic acid

Systemtic Name: 1-[1,1-bis(oxidanyl)propoxysulfonyl]-3,4-di(nonyl)naphthalene-2-sulfonic acid Openeye Name: 1-(1,1-dihydroxypropoxysulfonyl)-3,4-di(nonyl)naphthalene-2-sulfonic acid CAS Name: 1-(1,1-dihydroxypropoxysulfonyl)-3,4-di(nonyl)-2-naphthalenesulfonic acid IUPAC Name: 1-(1,1-dihydroxypropoxysulfonyl)-3,4-di(nonyl)naphthalene-2-sulfonic acid Traditional Name: 1-(1,1-dihydroxypropoxysulfonyl)-3,4-di(nonyl)naphthalene-2-sulfonic acid Formula: C31H50O8S2 MolecularWeight: 614.8539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)OC(CC)(O)O)S(=O)(=O)O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)OC(CC)(O)O)S(=O)(=O)O)CCCCCCCCC

InChI

InChI=1S/C31H50O8S2/c1-4-7-9-11-13-15-17-21-25-26-22-19-20-24-28(26)30(41(37,38)39-31(32,33)6-3)29(40(34,35)36)27(25)23-18-16-14-12-10-8-5-2/h19-20,22,24,32-33H,4-18,21,23H2,1-3H3,(H,34,35,36)