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

Systemtic Name: sodium (1-pyrimidin-2-ylphenothiazin-10-yl) (1Z,3E)-2-methylpenta-1,3-diene-1-sulfonate Openeye Name: sodium (1-pyrimidin-2-ylphenothiazin-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-pyrimidin-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-pyrimidyl)phenothiazin-10-yl] ester Formula: C22H19N3NaO3S2+ MolecularWeight: 460.52433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S2.Na/c1-3-8-16(2)15-30(26,27)28-25-18-10-4-5-11-19(18)29-20-12-6-9-17(21(20)25)22-23-13-7-14-24-22;/h3-15H,1-2H3;/q;+1/b8-3+,16-15-;