dicyclohexylazanium; 5-(2-methanoyl-3-oxidanyl-phenoxy)pentanoate

Systemtic Name: dicyclohexylazanium; 5-(2-methanoyl-3-oxidanyl-phenoxy)pentanoate Openeye Name: dicyclohexylammonium; 5-(2-formyl-3-hydroxy-phenoxy)pentanoate CAS Name: dicyclohexylammonium; 5-(2-formyl-3-hydroxyphenoxy)pentanoate IUPAC Name: dicyclohexylazanium; 5-(2-formyl-3-hydroxyphenoxy)pentanoate Traditional Name: dicyclohexylammonium; 5-(2-formyl-3-hydroxy-phenoxy)valerate Formula: C24H37NO5 MolecularWeight: 419.55428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N.C12H14O5/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;13-8-9-10(14)4-3-5-11(9)17-7-2-1-6-12(15)16/h11-13H,1-10H2;3-5,8,14H,1-2,6-7H2,(H,15,16)