methyl 4-[2-(3-bromanyl-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-oxidanylidene-ethoxy]-3-iodanyl-benzoate

Systemtic Name: methyl 4-[2-(3-bromanyl-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-oxidanylidene-ethoxy]-3-iodanyl-benzoate Openeye Name: methyl 4-[2-(7-bromo-1,1-dimethyl-tetralin-6-yl)-2-oxo-ethoxy]-3-iodo-benzoate CAS Name: 4-[2-(3-bromo-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-oxoethoxy]-3-iodobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(3-bromo-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-2-oxoethoxy]-3-iodobenzoate Traditional Name: 4-[2-(7-bromo-1,1-dimethyl-tetralin-6-yl)-2-keto-ethoxy]-3-iodo-benzoic acid methyl ester Formula: C22H22BrIO4 MolecularWeight: 557.21615

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2=C1C=C(C(=C2)C(=O)COC3=C(C=C(C=C3)C(=O)OC)I)Br)C

Isomeric SMILES

CC1(CCCC2=C1C=C(C(=C2)C(=O)COC3=C(C=C(C=C3)C(=O)OC)I)Br)C

InChI

InChI=1S/C22H22BrIO4/c1-22(2)8-4-5-13-9-15(17(23)11-16(13)22)19(25)12-28-20-7-6-14(10-18(20)24)21(26)27-3/h6-7,9-11H,4-5,8,12H2,1-3H3