(2,4-dipropylphenothiazin-10-yl) propane-1-sulfonate

Systemtic Name: (2,4-dipropylphenothiazin-10-yl) propane-1-sulfonate Openeye Name: (2,4-dipropylphenothiazin-10-yl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (2,4-dipropylphenothiazin-10-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (2,4-dipropylphenothiazin-10-yl) ester Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1)N(C3=CC=CC=C3S2)OS(=O)(=O)CCC)CCC

Isomeric SMILES

CCCC1=CC(=C2C(=C1)N(C3=CC=CC=C3S2)OS(=O)(=O)CCC)CCC

InChI

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