methyl 4-(6-iodanyl-2-oxidanyl-naphthalen-1-yl)-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: methyl 4-(6-iodanyl-2-oxidanyl-naphthalen-1-yl)-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: methyl 3-hydroxy-4-(2-hydroxy-6-iodo-1-naphthyl)naphthalene-2-carboxylate CAS Name: 3-hydroxy-4-(2-hydroxy-6-iodo-1-naphthalenyl)-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-(2-hydroxy-6-iodonaphthalen-1-yl)naphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-(2-hydroxy-6-iodo-1-naphthyl)naphthalene-2-carboxylic acid methyl ester Formula: C22H15IO4 MolecularWeight: 470.25657

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C3=C(C=CC4=C3C=CC(=C4)I)O

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C3=C(C=CC4=C3C=CC(=C4)I)O

InChI

InChI=1S/C22H15IO4/c1-27-22(26)17-11-12-4-2-3-5-15(12)20(21(17)25)19-16-8-7-14(23)10-13(16)6-9-18(19)24/h2-11,24-25H,1H3