2-ethanoyl-4-[(3-iodanyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]thiophene-3-carboxylate

Systemtic Name: 2-ethanoyl-4-[(3-iodanyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]thiophene-3-carboxylate Openeye Name: 2-acetyl-4-(7-iodo-1,1,4,4-tetramethyl-tetralin-6-yl)oxy-thiophene-3-carboxylate CAS Name: 2-acetyl-4-[(3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]-3-thiophenecarboxylate IUPAC Name: 2-acetyl-4-[(3-iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]thiophene-3-carboxylate Traditional Name: 2-acetyl-4-(7-iodo-1,1,4,4-tetramethyl-tetralin-6-yl)oxy-3-thenoate Formula: C21H22IO4S- MolecularWeight: 497.36645

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CS1)OC2=C(C=C3C(=C2)C(CCC3(C)C)(C)C)I)C(=O)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=CS1)OC2=C(C=C3C(=C2)C(CCC3(C)C)(C)C)I)C(=O)[O-]

InChI

InChI=1S/C21H23IO4S/c1-11(23)18-17(19(24)25)16(10-27-18)26-15-9-13-12(8-14(15)22)20(2,3)6-7-21(13,4)5/h8-10H,6-7H2,1-5H3,(H,24,25)/p-1