(Z)-3-(4-tert-butyl-7-methoxy-2,2-dimethyl-chromen-6-yl)-2-fluoranyl-pent-2-enoic acid

Systemtic Name: (Z)-3-(4-tert-butyl-7-methoxy-2,2-dimethyl-chromen-6-yl)-2-fluoranyl-pent-2-enoic acid Openeye Name: (Z)-3-(4-tert-butyl-7-methoxy-2,2-dimethyl-chromen-6-yl)-2-fluoro-pent-2-enoic acid CAS Name: (Z)-3-(4-tert-butyl-7-methoxy-2,2-dimethyl-1-benzopyran-6-yl)-2-fluoro-2-pentenoic acid IUPAC Name: (Z)-3-(4-tert-butyl-7-methoxy-2,2-dimethylchromen-6-yl)-2-fluoropent-2-enoic acid Traditional Name: (Z)-3-(4-tert-butyl-7-methoxy-2,2-dimethyl-chromen-6-yl)-2-fluoro-pent-2-enoic acid Formula: C21H27FO4 MolecularWeight: 362.435083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C(=O)O)F)C1=C(C=C2C(=C1)C(=CC(O2)(C)C)C(C)(C)C)OC

Isomeric SMILES

CC/C(=C(\C(=O)O)/F)/C1=C(C=C2C(=C1)C(=CC(O2)(C)C)C(C)(C)C)OC

InChI

InChI=1S/C21H27FO4/c1-8-12(18(22)19(23)24)13-9-14-15(20(2,3)4)11-21(5,6)26-17(14)10-16(13)25-7/h9-11H,8H2,1-7H3,(H,23,24)/b18-12-