ethyl 2-tert-butyl-5-(3,4,5-trimethoxyphenyl)carbonyloxy-1-benzofuran-3-carboxylate hydrate

Systemtic Name: ethyl 2-tert-butyl-5-(3,4,5-trimethoxyphenyl)carbonyloxy-1-benzofuran-3-carboxylate hydrate Openeye Name: ethyl 2-tert-butyl-5-(3,4,5-trimethoxybenzoyl)oxy-benzofuran-3-carboxylate hydrate CAS Name: 2-tert-butyl-5-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-3-benzofurancarboxylic acid ethyl ester hydrate IUPAC Name: ethyl 2-tert-butyl-5-(3,4,5-trimethoxybenzoyl)oxy-1-benzofuran-3-carboxylate hydrate Traditional Name: 2-tert-butyl-5-(3,4,5-trimethoxybenzoyl)oxy-benzofuran-3-carboxylic acid ethyl ester hydrate Formula: C25H30O9 MolecularWeight: 474.5003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C(C)(C)C.O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C(C)(C)C.O

InChI

InChI=1S/C25H28O8.H2O/c1-8-31-24(27)20-16-13-15(9-10-17(16)33-22(20)25(2,3)4)32-23(26)14-11-18(28-5)21(30-7)19(12-14)29-6;/h9-13H,8H2,1-7H3;1H2