(3,6-dibutylphenothiazin-10-yl) propane-1-sulfonate

Systemtic Name: (3,6-dibutylphenothiazin-10-yl) propane-1-sulfonate Openeye Name: (3,6-dibutylphenothiazin-10-yl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (3,6-dibutylphenothiazin-10-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (3,6-dibutylphenothiazin-10-yl) ester Formula: C23H31NO3S2 MolecularWeight: 433.62714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C3=CC=CC(=C3S2)CCCC)OS(=O)(=O)CCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C3=CC=CC(=C3S2)CCCC)OS(=O)(=O)CCC

InChI

InChI=1S/C23H31NO3S2/c1-4-7-10-18-14-15-20-22(17-18)28-23-19(11-8-5-2)12-9-13-21(23)24(20)27-29(25,26)16-6-3/h9,12-15,17H,4-8,10-11,16H2,1-3H3