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

Systemtic Name: 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]-5-methyl-naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-hydroxy-phenyl]-5-methyl-naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-4-hydroxyphenyl]-5-methyl-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-hydroxyphenyl]-5-methylnaphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4-hydroxy-phenyl]-5-methyl-2-naphthoic acid Formula: C28H28O3 MolecularWeight: 412.52012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=CC(=C2)C(=O)O)C3=CC(=C(C=C3)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C=CC2=C1C=CC(=C2)C(=O)O)C3=CC(=C(C=C3)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H28O3/c1-16-23-6-3-22(27(30)31)11-20(23)2-5-24(16)21-4-7-26(29)25(12-21)28-13-17-8-18(14-28)10-19(9-17)15-28/h2-7,11-12,17-19,29H,8-10,13-15H2,1H3,(H,30,31)