(3-methylphenothiazin-10-yl) propane-1-sulfonate

Systemtic Name: (3-methylphenothiazin-10-yl) propane-1-sulfonate Openeye Name: (3-methylphenothiazin-10-yl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (3-methylphenothiazin-10-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (3-methylphenothiazin-10-yl) ester Formula: C16H17NO3S2 MolecularWeight: 335.44108

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)ON1C2=C(C=C(C=C2)C)SC3=CC=CC=C31

Isomeric SMILES

CCCS(=O)(=O)ON1C2=C(C=C(C=C2)C)SC3=CC=CC=C31

InChI

InChI=1S/C16H17NO3S2/c1-3-10-22(18,19)20-17-13-6-4-5-7-15(13)21-16-11-12(2)8-9-14(16)17/h4-9,11H,3,10H2,1-2H3