[4-[(5-ethoxy-2-ethyl-2,4,4-trimethyl-5-oxidanylidene-pentanoyl)amino]phenyl]phosphonic acid

Systemtic Name: [4-[(5-ethoxy-2-ethyl-2,4,4-trimethyl-5-oxidanylidene-pentanoyl)amino]phenyl]phosphonic acid Openeye Name: [4-[(5-ethoxy-2-ethyl-2,4,4-trimethyl-5-oxo-pentanoyl)amino]phenyl]phosphonic acid CAS Name: [4-[(5-ethoxy-2-ethyl-2,4,4-trimethyl-1,5-dioxopentyl)amino]phenyl]phosphonic acid IUPAC Name: [4-[(5-ethoxy-2-ethyl-2,4,4-trimethyl-5-oxopentanoyl)amino]phenyl]phosphonic acid Traditional Name: [4-[(5-ethoxy-2-ethyl-5-keto-2,4,4-trimethyl-pentanoyl)amino]phenyl]phosphonic acid Formula: C18H28NO6P MolecularWeight: 385.391781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)OCC)C(=O)NC1=CC=C(C=C1)P(=O)(O)O

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)OCC)C(=O)NC1=CC=C(C=C1)P(=O)(O)O

InChI

InChI=1S/C18H28NO6P/c1-6-18(5,12-17(3,4)16(21)25-7-2)15(20)19-13-8-10-14(11-9-13)26(22,23)24/h8-11H,6-7,12H2,1-5H3,(H,19,20)(H2,22,23,24)