3-[2,4-bis(oxidanyl)naphthalen-1-yl]-2-diethoxyphosphoryl-propanoate; dicyclohexylazanium

Systemtic Name: 3-[2,4-bis(oxidanyl)naphthalen-1-yl]-2-diethoxyphosphoryl-propanoate; dicyclohexylazanium Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2,4-dihydroxy-1-naphthyl)propanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2,4-dihydroxy-1-naphthalenyl)propanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(2,4-dihydroxynaphthalen-1-yl)propanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2,4-dihydroxy-1-naphthyl)propionate Formula: C29H44NO7P MolecularWeight: 549.635921

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=C(C=C(C2=CC=CC=C21)O)O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOP(=O)(C(CC1=C(C=C(C2=CC=CC=C21)O)O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C17H21O7P.C12H23N/c1-3-23-25(22,24-4-2)16(17(20)21)9-13-11-7-5-6-8-12(11)14(18)10-15(13)19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,10,16,18-19H,3-4,9H2,1-2H3,(H,20,21);11-13H,1-10H2