4-nitrobenzenesulfonic acid; phenol

Systemtic Name: 4-nitrobenzenesulfonic acid; phenol Openeye Name: 4-nitrobenzenesulfonic acid; phenol CAS Name: 4-nitrobenzenesulfonic acid; phenol IUPAC Name: 4-nitrobenzenesulfonic acid; phenol Traditional Name: 4-nitrobesylic acid; phenol Formula: C12H11NO6S MolecularWeight: 297.28384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)O.C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)O.C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C6H5NO5S.C6H6O/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;7-6-4-2-1-3-5-6/h1-4H,(H,10,11,12);1-5,7H