1,2-dimethylnaphthalene; 6-(2-iodanylbutoxycarbonyl)naphthalene-2-carboxylate

Systemtic Name: 1,2-dimethylnaphthalene; 6-(2-iodanylbutoxycarbonyl)naphthalene-2-carboxylate Openeye Name: 1,2-dimethylnaphthalene; 6-(2-iodobutoxycarbonyl)naphthalene-2-carboxylate CAS Name: 1,2-dimethylnaphthalene; 6-[2-iodobutoxy(oxo)methyl]-2-naphthalenecarboxylate IUPAC Name: 1,2-dimethylnaphthalene; 6-(2-iodobutoxycarbonyl)naphthalene-2-carboxylate Traditional Name: 1,2-dimethylnaphthalene; 6-(2-iodobutoxycarbonyl)-2-naphthoate Formula: C28H26IO4- MolecularWeight: 553.40811

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)[O-])I.CC1=C(C2=CC=CC=C2C=C1)C

Isomeric SMILES

CCC(COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)[O-])I.CC1=C(C2=CC=CC=C2C=C1)C

InChI

InChI=1S/C16H15IO4.C12H12/c1-2-14(17)9-21-16(20)13-6-4-10-7-12(15(18)19)5-3-11(10)8-13;1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8,14H,2,9H2,1H3,(H,18,19);3-8H,1-2H3/p-1