3-(10-oxidanylphenothiazin-1-yl)propane-1-sulfonate

Systemtic Name: 3-(10-oxidanylphenothiazin-1-yl)propane-1-sulfonate Openeye Name: 3-(10-hydroxyphenothiazin-1-yl)propane-1-sulfonate CAS Name: 3-(10-hydroxy-1-phenothiazinyl)-1-propanesulfonate IUPAC Name: 3-(10-hydroxyphenothiazin-1-yl)propane-1-sulfonate Traditional Name: 3-(10-hydroxyphenothiazin-1-yl)propane-1-sulfonate Formula: C15H14NO4S2- MolecularWeight: 336.40596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(C=CC=C3S2)CCCS(=O)(=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(C=CC=C3S2)CCCS(=O)(=O)[O-])O

InChI

InChI=1S/C15H15NO4S2/c17-16-12-7-1-2-8-13(12)21-14-9-3-5-11(15(14)16)6-4-10-22(18,19)20/h1-3,5,7-9,17H,4,6,10H2,(H,18,19,20)/p-1