(2,7-dipropylphenothiazin-10-yl) propane-1-sulfonate

Systemtic Name: (2,7-dipropylphenothiazin-10-yl) propane-1-sulfonate Openeye Name: (2,7-dipropylphenothiazin-10-yl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (2,7-dipropylphenothiazin-10-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (2,7-dipropylphenothiazin-10-yl) ester Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)SC3=C(N2OS(=O)(=O)CCC)C=CC(=C3)CCC

Isomeric SMILES

CCCC1=CC2=C(C=C1)SC3=C(N2OS(=O)(=O)CCC)C=CC(=C3)CCC

InChI

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