sodium 3-(2-cyanophenothiazin-10-yl)propyl sulfate

Systemtic Name: sodium 3-(2-cyanophenothiazin-10-yl)propyl sulfate Openeye Name: sodium 3-(2-cyanophenothiazin-10-yl)propyl sulfate CAS Name: sodium 3-(2-cyano-10-phenothiazinyl)propyl sulfate IUPAC Name: sodium 3-(2-cyanophenothiazin-10-yl)propyl sulfate Traditional Name: sodium 3-(2-cyanophenothiazin-10-yl)propyl sulfate Formula: C16H13N2NaO4S2 MolecularWeight: 384.40519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C#N)CCCOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C#N)CCCOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H14N2O4S2.Na/c17-11-12-6-7-16-14(10-12)18(8-3-9-22-24(19,20)21)13-4-1-2-5-15(13)23-16;/h1-2,4-7,10H,3,8-9H2,(H,19,20,21);/q;+1/p-1