3-[[4-methyl-3-nitro-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-5-yl]-phenyl-methyl]pentane-2,4-dione

Systemtic Name: 3-[[4-methyl-3-nitro-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-5-yl]-phenyl-methyl]pentane-2,4-dione Openeye Name: 3-[(4-methyl-3-nitro-1,1-dioxo-2,3-dihydrothiophen-5-yl)-phenyl-methyl]pentane-2,4-dione CAS Name: 3-[(4-methyl-3-nitro-1,1-dioxo-2,3-dihydrothiophen-5-yl)-phenylmethyl]pentane-2,4-dione IUPAC Name: 3-[(4-methyl-3-nitro-1,1-dioxo-2,3-dihydrothiophen-5-yl)-phenylmethyl]pentane-2,4-dione Traditional Name: 3-[(1,1-diketo-4-methyl-3-nitro-2,3-dihydrothiophen-5-yl)-phenyl-methyl]pentane-2,4-dione Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6S/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/h4-8,14-16H,9H2,1-3H3