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

Systemtic Name: (1,6-dibutylphenothiazin-10-yl) propane-1-sulfonate Openeye Name: (1,6-dibutylphenothiazin-10-yl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (1,6-dibutylphenothiazin-10-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (1,6-dibutylphenothiazin-10-yl) ester Formula: C23H31NO3S2 MolecularWeight: 433.62714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=CC=C1)SC3=C(C=CC=C3N2OS(=O)(=O)CCC)CCCC

Isomeric SMILES

CCCCC1=C2C(=CC=C1)SC3=C(C=CC=C3N2OS(=O)(=O)CCC)CCCC

InChI

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