sodium (1-pyridin-2-ylphenothiazin-10-yl) (1Z,3E)-2-methylpenta-1,3-diene-1-sulfonate

Systemtic Name: sodium (1-pyridin-2-ylphenothiazin-10-yl) (1Z,3E)-2-methylpenta-1,3-diene-1-sulfonate Openeye Name: sodium [1-(2-pyridyl)phenothiazin-10-yl] (1Z,3E)-2-methylpenta-1,3-diene-1-sulfonate CAS Name: sodium (1Z,3E)-2-methyl-1-penta-1,3-dienesulfonic acid IUPAC Name: sodium (1-pyridin-2-ylphenothiazin-10-yl) (1Z,3E)-2-methylpenta-1,3-diene-1-sulfonate Traditional Name: sodium (1Z,3E)-2-methylpenta-1,3-diene-1-sulfonic acid [1-(2-pyridyl)phenothiazin-10-yl] ester Formula: C23H20N2NaO3S2+ MolecularWeight: 459.53627

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=CS(=O)(=O)ON1C2=CC=CC=C2SC3=CC=CC(=C31)C4=CC=CC=N4)C.[Na+]

Isomeric SMILES

C/C=C/C(=C\S(=O)(=O)ON1C2=CC=CC=C2SC3=CC=CC(=C31)C4=CC=CC=N4)/C.[Na+]

InChI

InChI=1S/C23H20N2O3S2.Na/c1-3-9-17(2)16-30(26,27)28-25-20-12-4-5-13-21(20)29-22-14-8-10-18(23(22)25)19-11-6-7-15-24-19;/h3-16H,1-2H3;/q;+1/b9-3+,17-16-;