aniline; benzenesulfonic acid; nitrobenzene

Systemtic Name: aniline; benzenesulfonic acid; nitrobenzene Openeye Name: aniline; benzenesulfonic acid; nitrobenzene CAS Name: aniline; benzenesulfonic acid; nitrobenzene IUPAC Name: aniline; benzenesulfonic acid; nitrobenzene Traditional Name: besylic acid; nitrobenzene; phenylamine Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5NO2.C6H7N.C6H6O3S/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;7-10(8,9)6-4-2-1-3-5-6/h1-5H;1-5H,7H2;1-5H,(H,7,8,9)