[6-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylimino-2,3-dihydro-1,4-benzodioxin-7-ylidene]methanediolate

Systemtic Name: [6-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylimino-2,3-dihydro-1,4-benzodioxin-7-ylidene]methanediolate Openeye Name: [6-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylimino-2,3-dihydro-1,4-benzodioxin-7-ylidene]methanediolate CAS Name: [6-(3-chloro-4-methyl-5-nitrophenyl)sulfonylimino-2,3-dihydro-1,4-benzodioxin-7-ylidene]methanediolate IUPAC Name: [6-(3-chloro-4-methyl-5-nitrophenyl)sulfonylimino-2,3-dihydro-1,4-benzodioxin-7-ylidene]methanediolate Traditional Name: [6-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylimino-2,3-dihydro-1,4-benzodioxin-7-ylidene]methanediolate Formula: C16H11ClN2O8S-2 MolecularWeight: 426.78514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N=C2C=C3C(=CC2=C([O-])[O-])OCCO3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N=C2C=C3C(=CC2=C([O-])[O-])OCCO3)Cl

InChI

InChI=1S/C16H13ClN2O8S/c1-8-11(17)4-9(5-13(8)19(22)23)28(24,25)18-12-7-15-14(26-2-3-27-15)6-10(12)16(20)21/h4-7,20-21H,2-3H2,1H3/p-2