2-methylphenol; 3-nitrobenzenesulfonic acid

Systemtic Name: 2-methylphenol; 3-nitrobenzenesulfonic acid Openeye Name: 3-nitrobenzenesulfonic acid; o-cresol CAS Name: 2-methylphenol; 3-nitrobenzenesulfonic acid IUPAC Name: 2-methylphenol; 3-nitrobenzenesulfonic acid Traditional Name: 3-nitrobesylic acid; o-cresol Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1O.C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1O.C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H8O.C6H5NO5S/c1-6-4-2-3-5-7(6)8;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h2-5,8H,1H3;1-4H,(H,10,11,12)