2-[3-[(3-iodanyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]prop-1-en-2-yl]thiophene-3-carboxylate

Systemtic Name: 2-[3-[(3-iodanyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]prop-1-en-2-yl]thiophene-3-carboxylate Openeye Name: 2-[1-[(7-iodo-1,1,4,4-tetramethyl-tetralin-6-yl)oxymethyl]vinyl]thiophene-3-carboxylate CAS Name: 2-[3-[(3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]prop-1-en-2-yl]-3-thiophenecarboxylate IUPAC Name: 2-[3-[(3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]prop-1-en-2-yl]thiophene-3-carboxylate Traditional Name: 2-[1-[(7-iodo-1,1,4,4-tetramethyl-tetralin-6-yl)oxymethyl]vinyl]-3-thenoate Formula: C22H24IO3S- MolecularWeight: 495.39363

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=CC(=C(C=C21)OCC(=C)C3=C(C=CS3)C(=O)[O-])I)(C)C)C

Isomeric SMILES

CC1(CCC(C2=CC(=C(C=C21)OCC(=C)C3=C(C=CS3)C(=O)[O-])I)(C)C)C

InChI

InChI=1S/C22H25IO3S/c1-13(19-14(20(24)25)6-9-27-19)12-26-18-11-16-15(10-17(18)23)21(2,3)7-8-22(16,4)5/h6,9-11H,1,7-8,12H2,2-5H3,(H,24,25)/p-1