[(2S)-2-azanyl-3-dodecoxy-3-oxidanylidene-propyl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [(2S)-2-azanyl-3-dodecoxy-3-oxidanylidene-propyl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2S)-2-amino-3-dodecoxy-3-oxo-propyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2S)-2-amino-3-dodecoxy-3-oxopropyl] ester IUPAC Name: [(2S)-2-amino-3-dodecoxy-3-oxopropyl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2S)-2-amino-3-keto-3-lauryloxy-propyl] ester Formula: C22H35NO7 MolecularWeight: 425.5158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(COC(=O)C1=CC(=C(C(=C1)O)O)O)N

Isomeric SMILES

CCCCCCCCCCCCOC(=O)[C@H](COC(=O)C1=CC(=C(C(=C1)O)O)O)N

InChI

InChI=1S/C22H35NO7/c1-2-3-4-5-6-7-8-9-10-11-12-29-22(28)17(23)15-30-21(27)16-13-18(24)20(26)19(25)14-16/h13-14,17,24-26H,2-12,15,23H2,1H3/t17-/m0/s1