dimethyl 5-(10b,10c-dimethylpyren-2-yl)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(10b,10c-dimethylpyren-2-yl)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(10b,10c-dimethylpyren-2-yl)benzene-1,3-dicarboxylate CAS Name: 5-(10b,10c-dimethyl-2-pyrenyl)benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(10b,10c-dimethylpyren-2-yl)benzene-1,3-dicarboxylate Traditional Name: 5-(10b,10c-dimethylpyren-2-yl)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C28H24O4 MolecularWeight: 424.48776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24O4/c1-27-21-6-5-7-22(27)9-11-24-16-18(15-23(10-8-21)28(24,27)2)17-12-19(25(29)31-3)14-20(13-17)26(30)32-4/h5-16H,1-4H3