ethyl 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate

Systemtic Name: ethyl 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate Openeye Name: ethyl 6-[3-(1-adamantyl)-4-hydroxy-phenyl]-2,5,7,8-tetramethyl-chromane-2-carboxylate CAS Name: 6-[3-(1-adamantyl)-4-hydroxyphenyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(1-adamantyl)-4-hydroxyphenyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate Traditional Name: 6-[3-(1-adamantyl)-4-hydroxy-phenyl]-2,5,7,8-tetramethyl-chroman-2-carboxylic acid ethyl ester Formula: C32H40O4 MolecularWeight: 488.6576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC2=C(O1)C(=C(C(=C2C)C3=CC(=C(C=C3)O)C45CC6CC(C4)CC(C6)C5)C)C)C

Isomeric SMILES

CCOC(=O)C1(CCC2=C(O1)C(=C(C(=C2C)C3=CC(=C(C=C3)O)C45CC6CC(C4)CC(C6)C5)C)C)C

InChI

InChI=1S/C32H40O4/c1-6-35-30(34)31(5)10-9-25-20(4)28(18(2)19(3)29(25)36-31)24-7-8-27(33)26(14-24)32-15-21-11-22(16-32)13-23(12-21)17-32/h7-8,14,21-23,33H,6,9-13,15-17H2,1-5H3