[2,6-bis(3,5-dimethylphenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]methylphosphonic acid

Systemtic Name: [2,6-bis(3,5-dimethylphenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]methylphosphonic acid Openeye Name: [2,6-bis(3,5-dimethylphenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]methylphosphonic acid CAS Name: [2,6-bis(3,5-dimethylphenyl)-4-[oxo-(7-phenylheptylamino)methyl]phenoxy]methylphosphonic acid IUPAC Name: [2,6-bis(3,5-dimethylphenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]methylphosphonic acid Traditional Name: [2,6-bis(3,5-dimethylphenyl)-4-(7-phenylheptylcarbamoyl)phenoxy]methylphosphonic acid Formula: C37H44NO5P MolecularWeight: 613.722721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=CC(=C2OCP(=O)(O)O)C3=CC(=CC(=C3)C)C)C(=O)NCCCCCCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=CC(=C2OCP(=O)(O)O)C3=CC(=CC(=C3)C)C)C(=O)NCCCCCCCC4=CC=CC=C4)C

InChI

InChI=1S/C37H44NO5P/c1-26-17-27(2)20-31(19-26)34-23-33(37(39)38-16-12-7-5-6-9-13-30-14-10-8-11-15-30)24-35(36(34)43-25-44(40,41)42)32-21-28(3)18-29(4)22-32/h8,10-11,14-15,17-24H,5-7,9,12-13,16,25H2,1-4H3,(H,38,39)(H2,40,41,42)