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

Systemtic Name: (2-butylphenothiazin-10-yl) propane-1-sulfonate Openeye Name: (2-butylphenothiazin-10-yl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (2-butylphenothiazin-10-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (2-butylphenothiazin-10-yl) ester Formula: C19H23NO3S2 MolecularWeight: 377.52082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SC3=CC=CC=C3N2OS(=O)(=O)CCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)SC3=CC=CC=C3N2OS(=O)(=O)CCC

InChI

InChI=1S/C19H23NO3S2/c1-3-5-8-15-11-12-19-17(14-15)20(23-25(21,22)13-4-2)16-9-6-7-10-18(16)24-19/h6-7,9-12,14H,3-5,8,13H2,1-2H3