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

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

Systemtic Name:6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid
Openeye Name:6-[3-(1-adamantyl)-4-hydroxy-phenyl]naphthalene-2-carboxylic acid
CAS Name:6-[3-(1-adamantyl)-4-hydroxyphenyl]-2-naphthalenecarboxylic acid
IUPAC Name:6-[3-(1-adamantyl)-4-hydroxyphenyl]naphthalene-2-carboxylic acid
Traditional Name:6-[3-(1-adamantyl)-4-hydroxy-phenyl]-2-naphthoic acid
Formula: C27H26O3
MolecularWeight: 398.49354
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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


Isomeric SMILES

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


InChI

InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)


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