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

Systemtic Name: 2-[4-acetyloxy-3-(1-adamantyl)phenyl]-2H-chromene-7-carboxylic acid Openeye Name: 2-[4-acetoxy-3-(1-adamantyl)phenyl]-2H-chromene-7-carboxylic acid CAS Name: 2-[4-acetyloxy-3-(1-adamantyl)phenyl]-2H-1-benzopyran-7-carboxylic acid IUPAC Name: 2-[4-acetyloxy-3-(1-adamantyl)phenyl]-2H-chromene-7-carboxylic acid Traditional Name: 2-[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)C2C=CC3=C(O2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2C=CC3=C(O2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

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