3-methyl-16-[[2-(2-methyl-3-phosphono-propoxy)phenyl]amino]-16-oxidanylidene-hexadecanoic acid

Systemtic Name: 3-methyl-16-[[2-(2-methyl-3-phosphono-propoxy)phenyl]amino]-16-oxidanylidene-hexadecanoic acid Openeye Name: 3-methyl-16-[2-(2-methyl-3-phosphono-propoxy)anilino]-16-oxo-hexadecanoic acid CAS Name: 3-methyl-16-[2-(2-methyl-3-phosphonopropoxy)anilino]-16-oxohexadecanoic acid IUPAC Name: 3-methyl-16-[2-(2-methyl-3-phosphonopropoxy)anilino]-16-oxohexadecanoic acid Traditional Name: 16-keto-3-methyl-16-[2-(2-methyl-3-phosphono-propoxy)anilino]palmitic acid Formula: C27H46NO7P MolecularWeight: 527.630401

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCC(C)CP(=O)(O)O)CC(=O)O

Isomeric SMILES

CC(CCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCC(C)CP(=O)(O)O)CC(=O)O

InChI

InChI=1S/C27H46NO7P/c1-22(19-27(30)31)15-11-9-7-5-3-4-6-8-10-12-18-26(29)28-24-16-13-14-17-25(24)35-20-23(2)21-36(32,33)34/h13-14,16-17,22-23H,3-12,15,18-21H2,1-2H3,(H,28,29)(H,30,31)(H2,32,33,34)