2-[5-(4-methoxyphenyl)spiro[2.4]hepta-4,6-dien-6-yl]-5-methylsulfonyl-pyridine

Systemtic Name: 2-[5-(4-methoxyphenyl)spiro[2.4]hepta-4,6-dien-6-yl]-5-methylsulfonyl-pyridine Openeye Name: 2-[5-(4-methoxyphenyl)spiro[2.4]hepta-4,6-dien-6-yl]-5-methylsulfonyl-pyridine CAS Name: 2-[5-(4-methoxyphenyl)-6-spiro[2.4]hepta-4,6-dienyl]-5-methylsulfonylpyridine IUPAC Name: 2-[5-(4-methoxyphenyl)spiro[2.4]hepta-4,6-dien-6-yl]-5-methylsulfonylpyridine Traditional Name: 5-mesyl-2-[5-(4-methoxyphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3(CC3)C=C2C4=NC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3(CC3)C=C2C4=NC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H19NO3S/c1-24-15-5-3-14(4-6-15)17-11-20(9-10-20)12-18(17)19-8-7-16(13-21-19)25(2,22)23/h3-8,11-13H,9-10H2,1-2H3