3-[4-acetyloxy-3-(1-adamantyl)phenyl]-2H-chromene-7-carboxylic acid

Systemtic Name: 3-[4-acetyloxy-3-(1-adamantyl)phenyl]-2H-chromene-7-carboxylic acid Openeye Name: 3-[4-acetoxy-3-(1-adamantyl)phenyl]-2H-chromene-7-carboxylic acid CAS Name: 3-[4-acetyloxy-3-(1-adamantyl)phenyl]-2H-1-benzopyran-7-carboxylic acid IUPAC Name: 3-[4-acetyloxy-3-(1-adamantyl)phenyl]-2H-chromene-7-carboxylic acid Traditional Name: 3-[4-acetoxy-3-(1-adamantyl)phenyl]-2H-chromene-7-carboxylic acid Formula: C28H28O5 MolecularWeight: 444.51892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=CC3=C(C=C(C=C3)C(=O)O)OC2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=CC3=C(C=C(C=C3)C(=O)O)OC2)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H28O5/c1-16(29)33-25-5-4-20(23-9-21-2-3-22(27(30)31)11-26(21)32-15-23)10-24(25)28-12-17-6-18(13-28)8-19(7-17)14-28/h2-5,9-11,17-19H,6-8,12-15H2,1H3,(H,30,31)