(2E)-2-[(4-azidophenyl)methylidene]-3-methyl-6-oxidanylidene-cyclohexane-1,1-disulfonic acid

Systemtic Name: (2E)-2-[(4-azidophenyl)methylidene]-3-methyl-6-oxidanylidene-cyclohexane-1,1-disulfonic acid Openeye Name: (2E)-2-[(4-azidophenyl)methylene]-3-methyl-6-oxo-cyclohexane-1,1-disulfonic acid CAS Name: (2E)-2-[(4-azidophenyl)methylidene]-3-methyl-6-oxocyclohexane-1,1-disulfonic acid IUPAC Name: (2E)-2-[(4-azidophenyl)methylidene]-3-methyl-6-oxocyclohexane-1,1-disulfonic acid Traditional Name: (2E)-2-(4-azidobenzylidene)-6-keto-3-methyl-cyclohexane-1,1-disulfonic acid Formula: C14H15N3O7S2 MolecularWeight: 401.4148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)C(C1=CC2=CC=C(C=C2)N=[N+]=[N-])(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC\1CCC(=O)C(/C1=C/C2=CC=C(C=C2)N=[N+]=[N-])(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H15N3O7S2/c1-9-2-7-13(18)14(25(19,20)21,26(22,23)24)12(9)8-10-3-5-11(6-4-10)16-17-15/h3-6,8-9H,2,7H2,1H3,(H,19,20,21)(H,22,23,24)/b12-8+