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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)N(C3=CC=CC(=C3S2)CCC)OS(=O)(=O)CCC

Isomeric SMILES

CCCC1=CC2=C(C=C1)N(C3=CC=CC(=C3S2)CCC)OS(=O)(=O)CCC

InChI

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