4-[5,5-dimethyl-8-(2-methylpyridin-3-yl)-6H-anthracen-1-yl]benzoic acid

Systemtic Name: 4-[5,5-dimethyl-8-(2-methylpyridin-3-yl)-6H-anthracen-1-yl]benzoic acid Openeye Name: 4-[5,5-dimethyl-8-(2-methyl-3-pyridyl)-6H-anthracen-1-yl]benzoic acid CAS Name: 4-[5,5-dimethyl-8-(2-methyl-3-pyridinyl)-6H-anthracen-1-yl]benzoic acid IUPAC Name: 4-[5,5-dimethyl-8-(2-methylpyridin-3-yl)-6H-anthracen-1-yl]benzoic acid Traditional Name: 4-[5,5-dimethyl-8-(2-methyl-3-pyridyl)-6H-anthracen-1-yl]benzoic acid Formula: C29H25NO2 MolecularWeight: 419.5143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C2=CCC(C3=C2C=C4C(=C3)C=CC=C4C5=CC=C(C=C5)C(=O)O)(C)C

Isomeric SMILES

CC1=C(C=CC=N1)C2=CCC(C3=C2C=C4C(=C3)C=CC=C4C5=CC=C(C=C5)C(=O)O)(C)C

InChI

InChI=1S/C29H25NO2/c1-18-22(8-5-15-30-18)24-13-14-29(2,3)27-16-21-6-4-7-23(25(21)17-26(24)27)19-9-11-20(12-10-19)28(31)32/h4-13,15-17H,14H2,1-3H3,(H,31,32)