5-[6-(4-methylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-2-methylsulfonyl-pyridine

Systemtic Name: 5-[6-(4-methylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-2-methylsulfonyl-pyridine Openeye Name: 2-methylsulfonyl-5-[6-(p-tolyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine CAS Name: 5-[6-(4-methylphenyl)-7-spiro[3.4]octa-5,7-dienyl]-2-methylsulfonylpyridine IUPAC Name: 5-[6-(4-methylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-2-methylsulfonylpyridine Traditional Name: 2-mesyl-5-[6-(p-tolyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3(CCC3)C=C2C4=CN=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3(CCC3)C=C2C4=CN=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H21NO2S/c1-15-4-6-16(7-5-15)18-12-21(10-3-11-21)13-19(18)17-8-9-20(22-14-17)25(2,23)24/h4-9,12-14H,3,10-11H2,1-2H3