3-[2,4-bis(oxidanyl)phenyl]-2-cyano-propanoate; dicyclohexylazanium

Systemtic Name: 3-[2,4-bis(oxidanyl)phenyl]-2-cyano-propanoate; dicyclohexylazanium Openeye Name: 2-cyano-3-(2,4-dihydroxyphenyl)propanoate; dicyclohexylammonium CAS Name: 2-cyano-3-(2,4-dihydroxyphenyl)propanoate; dicyclohexylammonium IUPAC Name: 2-cyano-3-(2,4-dihydroxyphenyl)propanoate; dicyclohexylazanium Traditional Name: 2-cyano-3-(2,4-dihydroxyphenyl)propionate; dicyclohexylammonium Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC(=C(C=C1O)O)CC(C#N)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC(=C(C=C1O)O)CC(C#N)C(=O)[O-]

InChI

InChI=1S/C12H23N.C10H9NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;11-5-7(10(14)15)3-6-1-2-8(12)4-9(6)13/h11-13H,1-10H2;1-2,4,7,12-13H,3H2,(H,14,15)