1-[4-(5,7-ditert-butyl-2-oxidanylidene-3H-1-benzofuran-3-yl)phenoxy]ethyl octadecanoate

Systemtic Name: 1-[4-(5,7-ditert-butyl-2-oxidanylidene-3H-1-benzofuran-3-yl)phenoxy]ethyl octadecanoate Openeye Name: 1-[4-(5,7-ditert-butyl-2-oxo-3H-benzofuran-3-yl)phenoxy]ethyl octadecanoate CAS Name: octadecanoic acid 1-[4-(5,7-ditert-butyl-2-oxo-3H-benzofuran-3-yl)phenoxy]ethyl ester IUPAC Name: 1-[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)phenoxy]ethyl octadecanoate Traditional Name: stearic acid 1-[4-(5,7-ditert-butyl-2-keto-coumaran-3-yl)phenoxy]ethyl ester Formula: C42H64O5 MolecularWeight: 648.95456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)OC1=CC=C(C=C1)C2C3=CC(=CC(=C3OC2=O)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)OC1=CC=C(C=C1)C2C3=CC(=CC(=C3OC2=O)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C42H64O5/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-37(43)46-31(2)45-34-27-25-32(26-28-34)38-35-29-33(41(3,4)5)30-36(42(6,7)8)39(35)47-40(38)44/h25-31,38H,9-24H2,1-8H3