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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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