N-cyclohexylcyclohexanamine; (4-methyl-2-oxidanylidene-chromen-7-yl) dihydrogen phosphate

Systemtic Name: N-cyclohexylcyclohexanamine; (4-methyl-2-oxidanylidene-chromen-7-yl) dihydrogen phosphate Openeye Name: N-cyclohexylcyclohexanamine; (4-methyl-2-oxo-chromen-7-yl) dihydrogen phosphate CAS Name: N-cyclohexylcyclohexanamine; (4-methyl-2-oxo-1-benzopyran-7-yl) dihydrogen phosphate IUPAC Name: N-cyclohexylcyclohexanamine; (4-methyl-2-oxochromen-7-yl) dihydrogen phosphate Traditional Name: dicyclohexylamine; (2-keto-4-methyl-chromen-7-yl) dihydrogen phosphate Formula: C22H32NO6P MolecularWeight: 437.466341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(O)O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C12H23N.C10H9O6P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h11-13H,1-10H2;2-5H,1H3,(H2,12,13,14)