sodium 4-(2-chloranylphenothiazin-10-yl)butane-1-sulfonate

Systemtic Name: sodium 4-(2-chloranylphenothiazin-10-yl)butane-1-sulfonate Openeye Name: sodium 4-(2-chlorophenothiazin-10-yl)butane-1-sulfonate CAS Name: sodium 4-(2-chloro-10-phenothiazinyl)-1-butanesulfonate IUPAC Name: sodium 4-(2-chlorophenothiazin-10-yl)butane-1-sulfonate Traditional Name: sodium 4-(2-chlorophenothiazin-10-yl)butane-1-sulfonate Formula: C16H15ClNNaO3S2 MolecularWeight: 391.86797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO3S2.Na/c17-12-7-8-16-14(11-12)18(9-3-4-10-23(19,20)21)13-5-1-2-6-15(13)22-16;/h1-2,5-8,11H,3-4,9-10H2,(H,19,20,21);/q;+1/p-1