2-[4-(dimethylamino)phenoxy]-3-phosphono-butanedioic acid

Systemtic Name: 2-[4-(dimethylamino)phenoxy]-3-phosphono-butanedioic acid Openeye Name: 2-[4-(dimethylamino)phenoxy]-3-phosphono-butanedioic acid CAS Name: 2-[4-(dimethylamino)phenoxy]-3-phosphonobutanedioic acid IUPAC Name: 2-[4-(dimethylamino)phenoxy]-3-phosphonobutanedioic acid Traditional Name: 2-[4-(dimethylamino)phenoxy]-3-phosphono-succinic acid Formula: C12H16NO8P MolecularWeight: 333.231101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)OC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)OC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C12H16NO8P/c1-13(2)7-3-5-8(6-4-7)21-9(11(14)15)10(12(16)17)22(18,19)20/h3-6,9-10H,1-2H3,(H,14,15)(H,16,17)(H2,18,19,20)