docosyl 4-(5,7-ditert-butyl-2-oxidanylidene-3H-1-benzofuran-3-yl)benzoate

Systemtic Name: docosyl 4-(5,7-ditert-butyl-2-oxidanylidene-3H-1-benzofuran-3-yl)benzoate Openeye Name: docosyl 4-(5,7-ditert-butyl-2-oxo-3H-benzofuran-3-yl)benzoate CAS Name: 4-(5,7-ditert-butyl-2-oxo-3H-benzofuran-3-yl)benzoic acid docosyl ester IUPAC Name: docosyl 4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)benzoate Traditional Name: 4-(5,7-ditert-butyl-2-keto-coumaran-3-yl)benzoic acid behenyl ester Formula: C45H70O4 MolecularWeight: 675.0349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2C3=CC(=CC(=C3OC2=O)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2C3=CC(=CC(=C3OC2=O)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C45H70O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-48-42(46)36-30-28-35(29-31-36)40-38-33-37(44(2,3)4)34-39(45(5,6)7)41(38)49-43(40)47/h28-31,33-34,40H,8-27,32H2,1-7H3