(2,4-dibutylphenothiazin-10-yl) propane-1-sulfonate

Systemtic Name: (2,4-dibutylphenothiazin-10-yl) propane-1-sulfonate Openeye Name: (2,4-dibutylphenothiazin-10-yl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (2,4-dibutylphenothiazin-10-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (2,4-dibutylphenothiazin-10-yl) ester Formula: C23H31NO3S2 MolecularWeight: 433.62714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C(=C1)N(C3=CC=CC=C3S2)OS(=O)(=O)CCC)CCCC

Isomeric SMILES

CCCCC1=CC(=C2C(=C1)N(C3=CC=CC=C3S2)OS(=O)(=O)CCC)CCCC

InChI

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