3-methyl-4-[[(E)-(2-oxidanylidenecyclohexylidene)methyl]azaniumyl]benzoate

Systemtic Name: 3-methyl-4-[[(E)-(2-oxidanylidenecyclohexylidene)methyl]azaniumyl]benzoate Openeye Name: 3-methyl-4-[[(E)-(2-oxocyclohexylidene)methyl]ammonio]benzoate CAS Name: 3-methyl-4-[[(E)-(2-oxocyclohexylidene)methyl]ammonio]benzoate IUPAC Name: 3-methyl-4-[[(E)-(2-oxocyclohexylidene)methyl]azaniumyl]benzoate Traditional Name: 4-[[(E)-(2-ketocyclohexylidene)methyl]ammonio]-3-methyl-benzoate Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])[NH2+]C=C2CCCCC2=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])[NH2+]/C=C/2\CCCCC2=O

InChI

InChI=1S/C15H17NO3/c1-10-8-11(15(18)19)6-7-13(10)16-9-12-4-2-3-5-14(12)17/h6-9,16H,2-5H2,1H3,(H,18,19)/b12-9+