5-azido-2-[(E)-(5-methyl-2-oxidanylidene-cyclohexylidene)methyl]benzenesulfonic acid

Systemtic Name: 5-azido-2-[(E)-(5-methyl-2-oxidanylidene-cyclohexylidene)methyl]benzenesulfonic acid Openeye Name: 5-azido-2-[(E)-(5-methyl-2-oxo-cyclohexylidene)methyl]benzenesulfonic acid CAS Name: 5-azido-2-[(E)-(5-methyl-2-oxocyclohexylidene)methyl]benzenesulfonic acid IUPAC Name: 5-azido-2-[(E)-(5-methyl-2-oxocyclohexylidene)methyl]benzenesulfonic acid Traditional Name: 5-azido-2-[(E)-(2-keto-5-methyl-cyclohexylidene)methyl]besylic acid Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4S/c1-9-2-5-13(18)11(6-9)7-10-3-4-12(16-17-15)8-14(10)22(19,20)21/h3-4,7-9H,2,5-6H2,1H3,(H,19,20,21)/b11-7+