2-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl]-3-octadecoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl]-3-octadecoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)methyl]-3-octadecoxy-3-oxo-propanoic acid CAS Name: 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-3-octadecoxy-3-oxopropanoic acid IUPAC Name: 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-3-octadecoxy-3-oxopropanoic acid Traditional Name: 2-(3-tert-butyl-4-hydroxy-5-methyl-benzyl)-3-keto-3-stearyloxy-propionic acid Formula: C33H56O5 MolecularWeight: 532.79474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C)C(=O)O

InChI

InChI=1S/C33H56O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-38-32(37)28(31(35)36)24-27-23-26(2)30(34)29(25-27)33(3,4)5/h23,25,28,34H,6-22,24H2,1-5H3,(H,35,36)