6-[3-(1-adamantyl)-5-bromanyl-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[3-(1-adamantyl)-5-bromanyl-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-5-bromo-4-hydroxy-phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-5-bromo-4-hydroxyphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-5-bromo-4-hydroxyphenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-5-bromo-4-hydroxy-phenyl]-2-naphthoic acid Formula: C27H25BrO3 MolecularWeight: 477.3896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25BrO3/c28-24-11-22(20-2-1-19-9-21(26(30)31)4-3-18(19)8-20)10-23(25(24)29)27-12-15-5-16(13-27)7-17(6-15)14-27/h1-4,8-11,15-17,29H,5-7,12-14H2,(H,30,31)