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

Systemtic Name: sodium 3-(2-chloranylphenothiazin-10-yl)propyl sulfate Openeye Name: sodium 3-(2-chlorophenothiazin-10-yl)propyl sulfate CAS Name: sodium 3-(2-chloro-10-phenothiazinyl)propyl sulfate IUPAC Name: sodium 3-(2-chlorophenothiazin-10-yl)propyl sulfate Traditional Name: sodium 3-(2-chlorophenothiazin-10-yl)propyl sulfate Formula: C15H13ClNNaO4S2 MolecularWeight: 393.84079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClNO4S2.Na/c16-11-6-7-15-13(10-11)17(8-3-9-21-23(18,19)20)12-4-1-2-5-14(12)22-15;/h1-2,4-7,10H,3,8-9H2,(H,18,19,20);/q;+1/p-1