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

Systemtic Name: 6-[3-(1-adamantyl)-4,5-bis(oxidanyl)phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4,5-dihydroxy-phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-4,5-dihydroxyphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4,5-dihydroxyphenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4,5-dihydroxy-phenyl]-2-naphthoic acid Formula: C27H26O4 MolecularWeight: 414.49294

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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)O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H26O4/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/h1-4,8-11,15-17,28-29H,5-7,12-14H2,(H,30,31)