2-[3,6-ditert-butyl-1-[3-(dimethylamino)prop-1-ynyl]-8-iodanyl-9H-fluoren-9-yl]ethanoic acid

Systemtic Name: 2-[3,6-ditert-butyl-1-[3-(dimethylamino)prop-1-ynyl]-8-iodanyl-9H-fluoren-9-yl]ethanoic acid Openeye Name: 2-[3,6-ditert-butyl-1-[3-(dimethylamino)prop-1-ynyl]-8-iodo-9H-fluoren-9-yl]acetic acid CAS Name: 2-[3,6-ditert-butyl-1-[3-(dimethylamino)prop-1-ynyl]-8-iodo-9H-fluoren-9-yl]acetic acid IUPAC Name: 2-[3,6-ditert-butyl-1-[3-(dimethylamino)prop-1-ynyl]-8-iodo-9H-fluoren-9-yl]acetic acid Traditional Name: 2-[3,6-ditert-butyl-1-[3-(dimethylamino)prop-1-ynyl]-8-iodo-9H-fluoren-9-yl]acetic acid Formula: C28H34INO2 MolecularWeight: 543.47953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C(C3=C(C=C(C=C23)C(C)(C)C)I)CC(=O)O)C(=C1)C#CCN(C)C

Isomeric SMILES

CC(C)(C)C1=CC2=C(C(C3=C(C=C(C=C23)C(C)(C)C)I)CC(=O)O)C(=C1)C#CCN(C)C

InChI

InChI=1S/C28H34INO2/c1-27(2,3)18-12-17(10-9-11-30(7)8)25-20(13-18)21-14-19(28(4,5)6)15-23(29)26(21)22(25)16-24(31)32/h12-15,22H,11,16H2,1-8H3,(H,31,32)