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

Systemtic Name: [4-[2-[3,5-bis(chloranyl)pyridin-4-yl]ethyl]-7-methoxy-spiro[3H-1-benzofuran-2,1'-cyclohexane]-3-yl]methanesulfonic acid Openeye Name: [4-[2-(3,5-dichloro-4-pyridyl)ethyl]-7-methoxy-spiro[3H-benzofuran-2,1'-cyclohexane]-3-yl]methanesulfonic acid CAS Name: [4-[2-(3,5-dichloro-4-pyridinyl)ethyl]-7-methoxy-3-spiro[3H-benzofuran-2,1'-cyclohexane]yl]methanesulfonic acid IUPAC Name: [4-[2-(3,5-dichloropyridin-4-yl)ethyl]-7-methoxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-3-yl]methanesulfonic acid Traditional Name: [4-[2-(3,5-dichloro-4-pyridyl)ethyl]-7-methoxy-spiro[coumaran-2,1'-cyclohexane]-3-yl]methanesulfonic acid Formula: C22H25Cl2NO5S MolecularWeight: 486.4086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)CCC3=C(C=NC=C3Cl)Cl)C(C4(O2)CCCCC4)CS(=O)(=O)O

Isomeric SMILES

COC1=C2C(=C(C=C1)CCC3=C(C=NC=C3Cl)Cl)C(C4(O2)CCCCC4)CS(=O)(=O)O

InChI

InChI=1S/C22H25Cl2NO5S/c1-29-19-8-6-14(5-7-15-17(23)11-25-12-18(15)24)20-16(13-31(26,27)28)22(30-21(19)20)9-3-2-4-10-22/h6,8,11-12,16H,2-5,7,9-10,13H2,1H3,(H,26,27,28)