sodium 3-[(7-azaniumyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]benzenesulfonate

Systemtic Name: sodium 3-[(7-azaniumyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]benzenesulfonate Openeye Name: sodium 3-[(7-azaniumyl-4-hydroxy-2-naphthyl)sulfonylamino]benzenesulfonate CAS Name: sodium 3-[(7-ammonio-4-hydroxy-2-naphthalenyl)sulfonylamino]benzenesulfonate IUPAC Name: sodium 3-[(7-azaniumyl-4-hydroxynaphthalen-2-yl)sulfonylamino]benzenesulfonate Traditional Name: sodium 3-[(7-ammonio-4-hydroxy-2-naphthyl)sulfonylamino]besylate Formula: C16H14N2NaO6S2+ MolecularWeight: 417.41193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])NS(=O)(=O)C2=CC(=C3C=CC(=CC3=C2)[NH3+])O.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])NS(=O)(=O)C2=CC(=C3C=CC(=CC3=C2)[NH3+])O.[Na+]

InChI

InChI=1S/C16H14N2O6S2.Na/c17-11-4-5-15-10(6-11)7-14(9-16(15)19)25(20,21)18-12-2-1-3-13(8-12)26(22,23)24;/h1-9,18-19H,17H2,(H,22,23,24);/q;+1