sodium triphenylene-2-sulfonate

Systemtic Name: sodium triphenylene-2-sulfonate Openeye Name: sodium triphenylene-2-sulfonate CAS Name: sodium 2-triphenylenesulfonate IUPAC Name: sodium triphenylene-2-sulfonate Traditional Name: sodium triphenylene-2-sulfonate Formula: C18H11NaO3S MolecularWeight: 330.33291

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C=C(C=C3)S(=O)(=O)[O-])C4=CC=CC=C24.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C=C(C=C3)S(=O)(=O)[O-])C4=CC=CC=C24.[Na+]

InChI

InChI=1S/C18H12O3S.Na/c19-22(20,21)12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12;/h1-11H,(H,19,20,21);/q;+1/p-1