(E)-3-(8-tert-butyl-5,5-dimethyl-3-propoxy-6H-naphthalen-2-yl)-2-fluoranyl-but-2-enoic acid

Systemtic Name: (E)-3-(8-tert-butyl-5,5-dimethyl-3-propoxy-6H-naphthalen-2-yl)-2-fluoranyl-but-2-enoic acid Openeye Name: (E)-3-(8-tert-butyl-5,5-dimethyl-3-propoxy-6H-naphthalen-2-yl)-2-fluoro-but-2-enoic acid CAS Name: (E)-3-(8-tert-butyl-5,5-dimethyl-3-propoxy-6H-naphthalen-2-yl)-2-fluoro-2-butenoic acid IUPAC Name: (E)-3-(8-tert-butyl-5,5-dimethyl-3-propoxy-6H-naphthalen-2-yl)-2-fluorobut-2-enoic acid Traditional Name: (E)-3-(8-tert-butyl-5,5-dimethyl-3-propoxy-6H-naphthalen-2-yl)-2-fluoro-but-2-enoic acid Formula: C23H31FO3 MolecularWeight: 374.488843

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C(C)(C)C)C(=C(C(=O)O)F)C

Isomeric SMILES

CCCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C(C)(C)C)/C(=C(\C(=O)O)/F)/C

InChI

InChI=1S/C23H31FO3/c1-8-11-27-19-13-18-16(12-15(19)14(2)20(24)21(25)26)17(22(3,4)5)9-10-23(18,6)7/h9,12-13H,8,10-11H2,1-7H3,(H,25,26)/b20-14+