methyl 3-iodanyl-4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enylsulfanyl]benzoate

Systemtic Name: methyl 3-iodanyl-4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enylsulfanyl]benzoate Openeye Name: methyl 3-iodo-4-[2-(1,1,4,4-tetramethyltetralin-6-yl)allylsulfanyl]benzoate CAS Name: 3-iodo-4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enylthio]benzoic acid methyl ester IUPAC Name: methyl 3-iodo-4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enylsulfanyl]benzoate Traditional Name: 3-iodo-4-[2-(1,1,4,4-tetramethyltetralin-6-yl)allylthio]benzoic acid methyl ester Formula: C25H29IO2S MolecularWeight: 520.46603

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C(=C)CSC3=C(C=C(C=C3)C(=O)OC)I)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C(=C)CSC3=C(C=C(C=C3)C(=O)OC)I)(C)C)C

InChI

InChI=1S/C25H29IO2S/c1-16(15-29-22-10-8-18(14-21(22)26)23(27)28-6)17-7-9-19-20(13-17)25(4,5)12-11-24(19,2)3/h7-10,13-14H,1,11-12,15H2,2-6H3