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

Systemtic Name: sodium phenothiazin-10-yl (1Z,3E)-2-methylpenta-1,3-diene-1-sulfonate Openeye Name: sodium 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 phenothiazin-10-yl (1Z,3E)-2-methylpenta-1,3-diene-1-sulfonate Traditional Name: sodium (1Z,3E)-2-methylpenta-1,3-diene-1-sulfonic acid phenothiazin-10-yl ester Formula: C18H17NNaO3S2+ MolecularWeight: 382.45225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO3S2.Na/c1-3-8-14(2)13-24(20,21)22-19-15-9-4-6-11-17(15)23-18-12-7-5-10-16(18)19;/h3-13H,1-2H3;/q;+1/b8-3+,14-13-;