3-(2-butanoylphenothiazin-10-yl)propyl hydrogen sulfate

Systemtic Name: 3-(2-butanoylphenothiazin-10-yl)propyl hydrogen sulfate Openeye Name: 3-(2-butanoylphenothiazin-10-yl)propyl hydrogen sulfate CAS Name: sulfuric acid 3-[2-(1-oxobutyl)-10-phenothiazinyl]propyl ester IUPAC Name: 3-(2-butanoylphenothiazin-10-yl)propyl hydrogen sulfate Traditional Name: sulfuric acid 3-(2-butyrylphenothiazin-10-yl)propyl ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCOS(=O)(=O)O

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCOS(=O)(=O)O

InChI

InChI=1S/C19H21NO5S2/c1-2-6-17(21)14-9-10-19-16(13-14)20(11-5-12-25-27(22,23)24)15-7-3-4-8-18(15)26-19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,22,23,24)