(1,3-dipropylphenothiazin-10-yl) propane-1-sulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1)SC3=CC=CC=C3N2OS(=O)(=O)CCC)CCC

Isomeric SMILES

CCCC1=CC(=C2C(=C1)SC3=CC=CC=C3N2OS(=O)(=O)CCC)CCC

InChI

InChI=1S/C21H27NO3S2/c1-4-9-16-14-17(10-5-2)21-20(15-16)26-19-12-8-7-11-18(19)22(21)25-27(23,24)13-6-3/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3