3-[(S)-[4-methyl-3-nitro-1,1-bis(oxidanylidene)-2H-thiophen-5-id-5-yl]-phenyl-methyl]pentane-2,4-dione

Systemtic Name: 3-[(S)-[4-methyl-3-nitro-1,1-bis(oxidanylidene)-2H-thiophen-5-id-5-yl]-phenyl-methyl]pentane-2,4-dione Openeye Name: 3-[(S)-(4-methyl-3-nitro-1,1-dioxo-2H-thiophen-5-id-5-yl)-phenyl-methyl]pentane-2,4-dione CAS Name: 3-[(S)-(4-methyl-3-nitro-1,1-dioxo-2H-thiophen-5-id-5-yl)-phenylmethyl]pentane-2,4-dione IUPAC Name: 3-[(S)-(4-methyl-3-nitro-1,1-dioxo-2H-thiophen-5-id-5-yl)-phenylmethyl]pentane-2,4-dione Traditional Name: 3-[(S)-(1,1-diketo-4-methyl-3-nitro-2H-thiophen-5-id-5-yl)-phenyl-methyl]pentane-2,4-dione Formula: C17H18NO6S- MolecularWeight: 364.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CS(=O)(=O)[C-]1C(C2=CC=CC=C2)C(C(=O)C)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(CS(=O)(=O)[C-]1[C@H](C2=CC=CC=C2)C(C(=O)C)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18NO6S/c1-10-14(18(21)22)9-25(23,24)17(10)16(13-7-5-4-6-8-13)15(11(2)19)12(3)20/h4-8,15-16H,9H2,1-3H3/q-1/t16-/m1/s1