(4-oxidanylidene-2,3-dihydrochromen-3-yl) 4-dodecylbenzenesulfonate

Systemtic Name: (4-oxidanylidene-2,3-dihydrochromen-3-yl) 4-dodecylbenzenesulfonate Openeye Name: (4-oxochroman-3-yl) 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid (4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl) ester IUPAC Name: (4-oxo-2,3-dihydrochromen-3-yl) 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid (4-ketochroman-3-yl) ester Formula: C27H36O5S MolecularWeight: 472.63674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OC2COC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OC2COC3=CC=CC=C3C2=O

InChI

InChI=1S/C27H36O5S/c1-2-3-4-5-6-7-8-9-10-11-14-22-17-19-23(20-18-22)33(29,30)32-26-21-31-25-16-13-12-15-24(25)27(26)28/h12-13,15-20,26H,2-11,14,21H2,1H3