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

Systemtic Name: 3-[2,7-bis(oxidanyl)naphthalen-1-yl]-2-diethoxyphosphoryl-propanoate; dicyclohexylazanium Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2,7-dihydroxy-1-naphthyl)propanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2,7-dihydroxy-1-naphthalenyl)propanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(2,7-dihydroxynaphthalen-1-yl)propanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2,7-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=CC2=C1C=C(C=C2)O)O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOP(=O)(C(CC1=C(C=CC2=C1C=C(C=C2)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)10-14-13-9-12(18)7-5-11(13)6-8-15(14)19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,16,18-19H,3-4,10H2,1-2H3,(H,20,21);11-13H,1-10H2