azanylidene-methyl-[4-(5-nitropyridin-2-yl)oxyphenyl]-oxidanylidene-$l^{6}-sulfane; 2,4,6-trimethylbenzenesulfonic acid

Systemtic Name: azanylidene-methyl-[4-(5-nitropyridin-2-yl)oxyphenyl]-oxidanylidene-$l^{6}-sulfane; 2,4,6-trimethylbenzenesulfonic acid Openeye Name: imino-methyl-[4-[(5-nitro-2-pyridyl)oxy]phenyl]-oxo-$l^{6}-sulfane; 2,4,6-trimethylbenzenesulfonic acid CAS Name: imino-methyl-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-oxo-$l^{6}-sulfane; 2,4,6-trimethylbenzenesulfonic acid IUPAC Name: imino-methyl-[4-(5-nitropyridin-2-yl)oxyphenyl]-oxo-$l^{6}-sulfane; 2,4,6-trimethylbenzenesulfonic acid Traditional Name: imino-keto-methyl-[4-[(5-nitro-2-pyridyl)oxy]phenyl]-$l^{6}-sulfane; 2,4,6-trimethylbesylic acid Formula: C21H23N3O7S2 MolecularWeight: 493.55322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.CS(=N)(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.CS(=N)(=O)C1=CC=C(C=C1)OC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4S.C9H12O3S/c1-20(13,18)11-5-3-10(4-6-11)19-12-7-2-9(8-14-12)15(16)17;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h2-8,13H,1H3;4-5H,1-3H3,(H,10,11,12)