ethyl 7-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: ethyl 7-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2-oxidanylidene-chromene-3-carboxylate Openeye Name: ethyl 7-[3-(1-adamantyl)-4-hydroxy-phenyl]-2-oxo-chromene-3-carboxylate CAS Name: 7-[3-(1-adamantyl)-4-hydroxyphenyl]-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[3-(1-adamantyl)-4-hydroxyphenyl]-2-oxochromene-3-carboxylate Traditional Name: 7-[3-(1-adamantyl)-4-hydroxy-phenyl]-2-keto-chromene-3-carboxylic acid ethyl ester Formula: C28H28O5 MolecularWeight: 444.51892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C(C=C2)C3=CC(=C(C=C3)O)C45CC6CC(C4)CC(C6)C5)OC1=O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C(C=C2)C3=CC(=C(C=C3)O)C45CC6CC(C4)CC(C6)C5)OC1=O

InChI

InChI=1S/C28H28O5/c1-2-32-26(30)22-10-21-4-3-20(12-25(21)33-27(22)31)19-5-6-24(29)23(11-19)28-13-16-7-17(14-28)9-18(8-16)15-28/h3-6,10-12,16-18,29H,2,7-9,13-15H2,1H3