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

Systemtic Name: (1,3,6-triethylphenothiazin-10-yl) propane-1-sulfonate Openeye Name: (1,3,6-triethylphenothiazin-10-yl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (1,3,6-triethylphenothiazin-10-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (1,3,6-triethylphenothiazin-10-yl) ester Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)ON1C2=CC=CC(=C2SC3=CC(=CC(=C31)CC)CC)CC

Isomeric SMILES

CCCS(=O)(=O)ON1C2=CC=CC(=C2SC3=CC(=CC(=C31)CC)CC)CC

InChI

InChI=1S/C21H27NO3S2/c1-5-12-27(23,24)25-22-18-11-9-10-16(7-3)21(18)26-19-14-15(6-2)13-17(8-4)20(19)22/h9-11,13-14H,5-8,12H2,1-4H3