[1-(3,6-dipropylpyridin-2-yl)phenoxazin-10-yl] propane-1-sulfonate

Systemtic Name: [1-(3,6-dipropylpyridin-2-yl)phenoxazin-10-yl] propane-1-sulfonate Openeye Name: [1-(3,6-dipropyl-2-pyridyl)phenoxazin-10-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [1-(3,6-dipropylpyridin-2-yl)phenoxazin-10-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [1-(3,6-dipropyl-2-pyridyl)phenoxazin-10-yl] ester Formula: C26H30N2O4S MolecularWeight: 466.5924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(C=C1)CCC)C2=C3C(=CC=C2)OC4=CC=CC=C4N3OS(=O)(=O)CCC

Isomeric SMILES

CCCC1=C(N=C(C=C1)CCC)C2=C3C(=CC=C2)OC4=CC=CC=C4N3OS(=O)(=O)CCC

InChI

InChI=1S/C26H30N2O4S/c1-4-10-19-16-17-20(11-5-2)27-25(19)21-12-9-15-24-26(21)28(32-33(29,30)18-6-3)22-13-7-8-14-23(22)31-24/h7-9,12-17H,4-6,10-11,18H2,1-3H3