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

Systemtic Name: 6-[3-(3,5-dimethyl-1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-(3,5-dimethyl-1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-(3,5-dimethyl-1-adamantyl)-4-methoxyphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(3,5-dimethyl-1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(3,5-dimethyl-1-adamantyl)-4-methoxy-phenyl]-2-naphthoic acid Formula: C30H32O3 MolecularWeight: 440.57328

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)OC)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)OC)C

InChI

InChI=1S/C30H32O3/c1-28-13-19-14-29(2,16-28)18-30(15-19,17-28)25-12-23(8-9-26(25)33-3)21-4-5-22-11-24(27(31)32)7-6-20(22)10-21/h4-12,19H,13-18H2,1-3H3,(H,31,32)