ethyl 2-methyl-3-oxidanyl-3-phenyl-1-benzofuran-2-carboxylate; 3-phenyl-2H-1-benzofuran-3-ol

Systemtic Name: ethyl 2-methyl-3-oxidanyl-3-phenyl-1-benzofuran-2-carboxylate; 3-phenyl-2H-1-benzofuran-3-ol Openeye Name: ethyl 3-hydroxy-2-methyl-3-phenyl-benzofuran-2-carboxylate; 3-phenyl-2H-benzofuran-3-ol CAS Name: 3-hydroxy-2-methyl-3-phenyl-2-benzofurancarboxylic acid ethyl ester; 3-phenyl-2H-benzofuran-3-ol IUPAC Name: ethyl 3-hydroxy-2-methyl-3-phenyl-1-benzofuran-2-carboxylate; 3-phenyl-2H-1-benzofuran-3-ol Traditional Name: 3-hydroxy-2-methyl-3-phenyl-coumaran-2-carboxylic acid ethyl ester; 3-phenylcoumaran-3-ol Formula: C46H42O8 MolecularWeight: 722.82088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C2=CC=CC=C2O1)(C3=CC=CC=C3)O)C.C1C(C2=CC=CC=C2O1)(C3=CC=CC=C3)O.C1C(C2=CC=CC=C2O1)(C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1(C(C2=CC=CC=C2O1)(C3=CC=CC=C3)O)C.C1C(C2=CC=CC=C2O1)(C3=CC=CC=C3)O.C1C(C2=CC=CC=C2O1)(C3=CC=CC=C3)O

InChI

InChI=1S/C18H18O4.2C14H12O2/c1-3-21-16(19)17(2)18(20,13-9-5-4-6-10-13)14-11-7-8-12-15(14)22-17;2*15-14(11-6-2-1-3-7-11)10-16-13-9-5-4-8-12(13)14/h4-12,20H,3H2,1-2H3;2*1-9,15H,10H2