(2-propylphenothiazin-10-yl) propane-1-sulfonate

Systemtic Name: (2-propylphenothiazin-10-yl) propane-1-sulfonate Openeye Name: (2-propylphenothiazin-10-yl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (2-propylphenothiazin-10-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (2-propylphenothiazin-10-yl) ester Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)SC3=CC=CC=C3N2OS(=O)(=O)CCC

Isomeric SMILES

CCCC1=CC2=C(C=C1)SC3=CC=CC=C3N2OS(=O)(=O)CCC

InChI

InChI=1S/C18H21NO3S2/c1-3-7-14-10-11-18-16(13-14)19(22-24(20,21)12-4-2)15-8-5-6-9-17(15)23-18/h5-6,8-11,13H,3-4,7,12H2,1-2H3