3-(10H-phenothiazin-10-ium-10-yl)propane-1-sulfonate

Systemtic Name: 3-(10H-phenothiazin-10-ium-10-yl)propane-1-sulfonate Openeye Name: 3-(10H-phenothiazin-10-ium-10-yl)propane-1-sulfonate CAS Name: 3-(10H-phenothiazin-10-ium-10-yl)-1-propanesulfonate IUPAC Name: 3-(10H-phenothiazin-10-ium-10-yl)propane-1-sulfonate Traditional Name: 3-(10H-phenothiazin-10-ium-10-yl)propane-1-sulfonate Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH+](C3=CC=CC=C3S2)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[NH+](C3=CC=CC=C3S2)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C15H15NO3S2/c17-21(18,19)11-5-10-16-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)16/h1-4,6-9H,5,10-11H2,(H,17,18,19)