sodium oxidanyl(pyren-1-yl)methanesulfonic acid

Systemtic Name: sodium oxidanyl(pyren-1-yl)methanesulfonic acid Openeye Name: sodium hydroxy(pyren-1-yl)methanesulfonic acid CAS Name: sodium hydroxy(1-pyrenyl)methanesulfonic acid IUPAC Name: sodium hydroxy(pyren-1-yl)methanesulfonic acid Traditional Name: sodium hydroxy(pyren-1-yl)methanesulfonic acid Formula: C17H12NaO4S+ MolecularWeight: 335.32955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C17H12O4S.Na/c18-17(22(19,20)21)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;/h1-9,17-18H,(H,19,20,21);/q;+1