2-[2,2-bis(fluoranylmethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 2-[2,2-bis(fluoranylmethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 2-[2,2-bis(fluoromethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 2-[2,2-bis(fluoromethyl)-6-nitro-1-benzopyran-4-yl]-1-pyridin-1-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 2-[2,2-bis(fluoromethyl)-6-nitrochromen-4-yl]pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: [2-[2,2-bis(fluoromethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-yl]amine; 2,4,6-trimethylbesylate Formula: C25H25F2N3O6S MolecularWeight: 533.544306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=[N+](C(=C1)C2=CC(OC3=C2C=C(C=C3)[N+](=O)[O-])(CF)CF)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=[N+](C(=C1)C2=CC(OC3=C2C=C(C=C3)[N+](=O)[O-])(CF)CF)N

InChI

InChI=1S/C16H14F2N3O3.C9H12O3S/c17-9-16(10-18)8-13(14-3-1-2-6-20(14)19)12-7-11(21(22)23)4-5-15(12)24-16;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1-8H,9-10,19H2;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1