octadecyl 2-[4-(5,7-dimethyl-2-oxidanylidene-3H-1-benzofuran-3-yl)phenoxy]ethanoate

Systemtic Name: octadecyl 2-[4-(5,7-dimethyl-2-oxidanylidene-3H-1-benzofuran-3-yl)phenoxy]ethanoate Openeye Name: octadecyl 2-[4-(5,7-dimethyl-2-oxo-3H-benzofuran-3-yl)phenoxy]acetate CAS Name: 2-[4-(5,7-dimethyl-2-oxo-3H-benzofuran-3-yl)phenoxy]acetic acid octadecyl ester IUPAC Name: octadecyl 2-[4-(5,7-dimethyl-2-oxo-3H-1-benzofuran-3-yl)phenoxy]acetate Traditional Name: 2-[4-(2-keto-5,7-dimethyl-coumaran-3-yl)phenoxy]acetic acid stearyl ester Formula: C36H52O5 MolecularWeight: 564.79508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)COC1=CC=C(C=C1)C2C3=CC(=CC(=C3OC2=O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)COC1=CC=C(C=C1)C2C3=CC(=CC(=C3OC2=O)C)C

InChI

InChI=1S/C36H52O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-39-33(37)27-40-31-22-20-30(21-23-31)34-32-26-28(2)25-29(3)35(32)41-36(34)38/h20-23,25-26,34H,4-19,24,27H2,1-3H3