5-tert-butyl-7-octadecan-2-yl-3-phenyl-3H-1-benzofuran-2-one

Systemtic Name: 5-tert-butyl-7-octadecan-2-yl-3-phenyl-3H-1-benzofuran-2-one Openeye Name: 5-tert-butyl-7-(1-methylheptadecyl)-3-phenyl-3H-benzofuran-2-one CAS Name: 5-tert-butyl-7-octadecan-2-yl-3-phenyl-3H-benzofuran-2-one IUPAC Name: 5-tert-butyl-7-octadecan-2-yl-3-phenyl-3H-1-benzofuran-2-one Traditional Name: 5-tert-butyl-7-(1-methylheptadecyl)-3-phenyl-coumaran-2-one Formula: C36H54O2 MolecularWeight: 518.81276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C1=C2C(=CC(=C1)C(C)(C)C)C(C(=O)O2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C1=C2C(=CC(=C1)C(C)(C)C)C(C(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C36H54O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-28(2)31-26-30(36(3,4)5)27-32-33(35(37)38-34(31)32)29-24-21-19-22-25-29/h19,21-22,24-28,33H,6-18,20,23H2,1-5H3