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

Systemtic Name: 3-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2H-chromene-7-carboxylic acid Openeye Name: 3-[3-(1-adamantyl)-4-hydroxy-phenyl]-2H-chromene-7-carboxylic acid CAS Name: 3-[3-(1-adamantyl)-4-hydroxyphenyl]-2H-1-benzopyran-7-carboxylic acid IUPAC Name: 3-[3-(1-adamantyl)-4-hydroxyphenyl]-2H-chromene-7-carboxylic acid Traditional Name: 3-[3-(1-adamantyl)-4-hydroxy-phenyl]-2H-chromene-7-carboxylic acid Formula: C26H26O4 MolecularWeight: 402.48224

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C(C=C6)C(=O)O)OC5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C(C=C6)C(=O)O)OC5)O

InChI

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