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

Systemtic Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]-1-methyl-4-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]-4-hydroxy-1-methyl-naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]-4-hydroxy-1-methyl-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]-4-hydroxy-1-methylnaphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]-4-hydroxy-1-methyl-2-naphthoic acid Formula: C29H30O4 MolecularWeight: 442.5461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC2=C(C=C1C(=O)O)O)C3=CC(=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C2C=CC(=CC2=C(C=C1C(=O)O)O)C3=CC(=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H30O4/c1-16-22-5-3-20(10-24(22)26(30)12-23(16)28(31)32)21-4-6-27(33-2)25(11-21)29-13-17-7-18(14-29)9-19(8-17)15-29/h3-6,10-12,17-19,30H,7-9,13-15H2,1-2H3,(H,31,32)