6-ethoxy-5-nitro-naphthalene-1-sulfonic acid

Systemtic Name: 6-ethoxy-5-nitro-naphthalene-1-sulfonic acid Openeye Name: 6-ethoxy-5-nitro-naphthalene-1-sulfonic acid CAS Name: 6-ethoxy-5-nitro-1-naphthalenesulfonic acid IUPAC Name: 6-ethoxy-5-nitronaphthalene-1-sulfonic acid Traditional Name: 6-ethoxy-5-nitro-naphthalene-1-sulfonic acid Formula: C12H11NO6S MolecularWeight: 297.28384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C=C1)C(=CC=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C2=C(C=C1)C(=CC=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H11NO6S/c1-2-19-10-7-6-8-9(12(10)13(14)15)4-3-5-11(8)20(16,17)18/h3-7H,2H2,1H3,(H,16,17,18)