3-[2,7-bis(oxidanyl)naphthalen-1-yl]-2-cyano-propanoate; dicyclohexylazanium

Systemtic Name: 3-[2,7-bis(oxidanyl)naphthalen-1-yl]-2-cyano-propanoate; dicyclohexylazanium Openeye Name: 2-cyano-3-(2,7-dihydroxy-1-naphthyl)propanoate; dicyclohexylammonium CAS Name: 2-cyano-3-(2,7-dihydroxy-1-naphthalenyl)propanoate; dicyclohexylammonium IUPAC Name: 2-cyano-3-(2,7-dihydroxynaphthalen-1-yl)propanoate; dicyclohexylazanium Traditional Name: 2-cyano-3-(2,7-dihydroxy-1-naphthyl)propionate; dicyclohexylammonium Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC(=CC2=C1C=CC(=C2CC(C#N)C(=O)[O-])O)O

Isomeric SMILES

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC(=CC2=C1C=CC(=C2CC(C#N)C(=O)[O-])O)O

InChI

InChI=1S/C14H11NO4.C12H23N/c15-7-9(14(18)19)5-12-11-6-10(16)3-1-8(11)2-4-13(12)17;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-4,6,9,16-17H,5H2,(H,18,19);11-13H,1-10H2