(E)-3-(4-bromanyl-8-butan-2-yl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluoranyl-pent-2-enoic acid

Systemtic Name: (E)-3-(4-bromanyl-8-butan-2-yl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluoranyl-pent-2-enoic acid Openeye Name: (E)-3-(4-bromo-3-ethoxy-5,5-dimethyl-8-sec-butyl-6H-naphthalen-2-yl)-2-fluoro-pent-2-enoic acid CAS Name: (E)-3-(4-bromo-8-butan-2-yl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluoro-2-pentenoic acid IUPAC Name: (E)-3-(4-bromo-8-butan-2-yl-3-ethoxy-5,5-dimethyl-6H-naphthalen-2-yl)-2-fluoropent-2-enoic acid Traditional Name: (E)-3-(4-bromo-3-ethoxy-5,5-dimethyl-8-sec-butyl-6H-naphthalen-2-yl)-2-fluoro-pent-2-enoic acid Formula: C23H30BrFO3 MolecularWeight: 453.384903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CCC(C2=C(C(=C(C=C12)C(=C(C(=O)O)F)CC)OCC)Br)(C)C

Isomeric SMILES

CCC(C)C1=CCC(C2=C(C(=C(C=C12)/C(=C(\C(=O)O)/F)/CC)OCC)Br)(C)C

InChI

InChI=1S/C23H30BrFO3/c1-7-13(4)15-10-11-23(5,6)18-16(15)12-17(21(19(18)24)28-9-3)14(8-2)20(25)22(26)27/h10,12-13H,7-9,11H2,1-6H3,(H,26,27)/b20-14+