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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C2=CCC(C3=C2C=C4C=C(C=CC4=C3)C5=CC=C(C=C5)C(=O)O)(C)C

Isomeric SMILES

CC1=NC=C(C=C1)C2=CCC(C3=C2C=C4C=C(C=CC4=C3)C5=CC=C(C=C5)C(=O)O)(C)C

InChI

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