(5-tert-butyl-3-methyl-2-octadecyl-4-oxidanyl-phenyl)methylphosphonic acid

Systemtic Name: (5-tert-butyl-3-methyl-2-octadecyl-4-oxidanyl-phenyl)methylphosphonic acid Openeye Name: (5-tert-butyl-4-hydroxy-3-methyl-2-octadecyl-phenyl)methylphosphonic acid CAS Name: (5-tert-butyl-4-hydroxy-3-methyl-2-octadecylphenyl)methylphosphonic acid IUPAC Name: (5-tert-butyl-4-hydroxy-3-methyl-2-octadecylphenyl)methylphosphonic acid Traditional Name: (5-tert-butyl-4-hydroxy-3-methyl-2-stearyl-benzyl)phosphonic acid Formula: C30H55O4P MolecularWeight: 510.729061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1CP(=O)(O)O)C(C)(C)C)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1CP(=O)(O)O)C(C)(C)C)O)C

InChI

InChI=1S/C30H55O4P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-25(2)29(31)28(30(3,4)5)23-26(27)24-35(32,33)34/h23,31H,6-22,24H2,1-5H3,(H2,32,33,34)