(1,8-dibutylphenothiazin-10-yl) propane-1-sulfonate

Systemtic Name: (1,8-dibutylphenothiazin-10-yl) propane-1-sulfonate Openeye Name: (1,8-dibutylphenothiazin-10-yl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (1,8-dibutylphenothiazin-10-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (1,8-dibutylphenothiazin-10-yl) ester Formula: C23H31NO3S2 MolecularWeight: 433.62714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SC3=CC=CC(=C3N2OS(=O)(=O)CCC)CCCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)SC3=CC=CC(=C3N2OS(=O)(=O)CCC)CCCC

InChI

InChI=1S/C23H31NO3S2/c1-4-7-10-18-14-15-21-20(17-18)24(27-29(25,26)16-6-3)23-19(11-8-5-2)12-9-13-22(23)28-21/h9,12-15,17H,4-8,10-11,16H2,1-3H3