4-(2-methoxy-2-oxidanylidene-ethyl)-5-nitro-naphthalene-1-sulfonic acid

Systemtic Name: 4-(2-methoxy-2-oxidanylidene-ethyl)-5-nitro-naphthalene-1-sulfonic acid Openeye Name: 4-(2-methoxy-2-oxo-ethyl)-5-nitro-naphthalene-1-sulfonic acid CAS Name: 4-(2-methoxy-2-oxoethyl)-5-nitro-1-naphthalenesulfonic acid IUPAC Name: 4-(2-methoxy-2-oxoethyl)-5-nitronaphthalene-1-sulfonic acid Traditional Name: 4-(2-keto-2-methoxy-ethyl)-5-nitro-naphthalene-1-sulfonic acid Formula: C13H11NO7S MolecularWeight: 325.29394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H11NO7S/c1-21-12(15)7-8-5-6-11(22(18,19)20)9-3-2-4-10(13(8)9)14(16)17/h2-6H,7H2,1H3,(H,18,19,20)