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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=C(C2=CC=CC=C2C=C1O)O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOP(=O)(C(CC1=C(C2=CC=CC=C2C=C1O)O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

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