3-iodanyl-4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]benzoate

Systemtic Name: 3-iodanyl-4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]benzoate Openeye Name: 3-iodo-4-[2-(1,1,4,4,7-pentamethyltetralin-6-yl)allyloxy]benzoate CAS Name: 3-iodo-4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]benzoate IUPAC Name: 3-iodo-4-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]benzoate Traditional Name: 3-iodo-4-[2-(1,1,4,4,7-pentamethyltetralin-6-yl)allyloxy]benzoate Formula: C25H28IO3- MolecularWeight: 503.39249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=C)COC3=C(C=C(C=C3)C(=O)[O-])I)C(CCC2(C)C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C(=C)COC3=C(C=C(C=C3)C(=O)[O-])I)C(CCC2(C)C)(C)C

InChI

InChI=1S/C25H29IO3/c1-15-11-19-20(25(5,6)10-9-24(19,3)4)13-18(15)16(2)14-29-22-8-7-17(23(27)28)12-21(22)26/h7-8,11-13H,2,9-10,14H2,1,3-6H3,(H,27,28)/p-1