methyl 4-(10b,10c-dimethylpyren-2-yl)benzoate

Systemtic Name: methyl 4-(10b,10c-dimethylpyren-2-yl)benzoate Openeye Name: methyl 4-(10b,10c-dimethylpyren-2-yl)benzoate CAS Name: 4-(10b,10c-dimethyl-2-pyrenyl)benzoic acid methyl ester IUPAC Name: methyl 4-(10b,10c-dimethylpyren-2-yl)benzoate Traditional Name: 4-(10b,10c-dimethylpyren-2-yl)benzoic acid methyl ester Formula: C26H22O2 MolecularWeight: 366.45168

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC=C4C1(C(=CC(=C4)C5=CC=C(C=C5)C(=O)OC)C=CC2=CC=C3)C

Isomeric SMILES

CC12C3=CC=C4C1(C(=CC(=C4)C5=CC=C(C=C5)C(=O)OC)C=CC2=CC=C3)C

InChI

InChI=1S/C26H22O2/c1-25-20-5-4-6-21(25)12-14-23-16-19(15-22(13-11-20)26(23,25)2)17-7-9-18(10-8-17)24(27)28-3/h4-16H,1-3H3