2-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2H-chromene-6-carboxylic acid

Systemtic Name: 2-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2H-chromene-6-carboxylic acid Openeye Name: 2-[3-(1-adamantyl)-4-hydroxy-phenyl]-2H-chromene-6-carboxylic acid CAS Name: 2-[3-(1-adamantyl)-4-hydroxyphenyl]-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 2-[3-(1-adamantyl)-4-hydroxyphenyl]-2H-chromene-6-carboxylic acid Traditional Name: 2-[3-(1-adamantyl)-4-hydroxy-phenyl]-2H-chromene-6-carboxylic acid Formula: C26H26O4 MolecularWeight: 402.48224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5C=CC6=C(O5)C=CC(=C6)C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5C=CC6=C(O5)C=CC(=C6)C(=O)O)O

InChI

InChI=1S/C26H26O4/c27-22-4-1-19(24-5-2-18-10-20(25(28)29)3-6-23(18)30-24)11-21(22)26-12-15-7-16(13-26)9-17(8-15)14-26/h1-6,10-11,15-17,24,27H,7-9,12-14H2,(H,28,29)