[4-[(E)-2-[3,5-bis(chloranyl)pyridin-4-yl]ethenyl]-7-methoxy-spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-yl]methanesulfonic acid

Systemtic Name: [4-[(E)-2-[3,5-bis(chloranyl)pyridin-4-yl]ethenyl]-7-methoxy-spiro[3H-1-benzofuran-2,1'-cyclopentane]-3-yl]methanesulfonic acid Openeye Name: [4-[(E)-2-(3,5-dichloro-4-pyridyl)vinyl]-7-methoxy-spiro[3H-benzofuran-2,1'-cyclopentane]-3-yl]methanesulfonic acid CAS Name: [4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-3-spiro[3H-benzofuran-2,1'-cyclopentane]yl]methanesulfonic acid IUPAC Name: [4-[(E)-2-(3,5-dichloropyridin-4-yl)ethenyl]-7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-3-yl]methanesulfonic acid Traditional Name: [4-[(E)-2-(3,5-dichloro-4-pyridyl)vinyl]-7-methoxy-spiro[coumaran-2,1'-cyclopentane]-3-yl]methanesulfonic acid Formula: C21H21Cl2NO5S MolecularWeight: 470.36614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C=CC3=C(C=NC=C3Cl)Cl)C(C4(O2)CCCC4)CS(=O)(=O)O

Isomeric SMILES

COC1=C2C(=C(C=C1)/C=C/C3=C(C=NC=C3Cl)Cl)C(C4(O2)CCCC4)CS(=O)(=O)O

InChI

InChI=1S/C21H21Cl2NO5S/c1-28-18-7-5-13(4-6-14-16(22)10-24-11-17(14)23)19-15(12-30(25,26)27)21(29-20(18)19)8-2-3-9-21/h4-7,10-11,15H,2-3,8-9,12H2,1H3,(H,25,26,27)/b6-4+