dicyclohexyl benzene-1,2-dicarboxylate; 2-[2-(1-iodanylethyl)hexoxycarbonyl]benzoate

Systemtic Name: dicyclohexyl benzene-1,2-dicarboxylate; 2-[2-(1-iodanylethyl)hexoxycarbonyl]benzoate Openeye Name: dicyclohexyl benzene-1,2-dicarboxylate; 2-[2-(1-iodoethyl)hexoxycarbonyl]benzoate CAS Name: benzene-1,2-dicarboxylic acid dicyclohexyl ester; 2-[2-(1-iodoethyl)hexoxy-oxomethyl]benzoate IUPAC Name: dicyclohexyl benzene-1,2-dicarboxylate; 2-[2-(1-iodoethyl)hexoxycarbonyl]benzoate Traditional Name: benzene-1,2-dicarboxylic acid dicyclohexyl ester; 2-[2-(1-iodoethyl)hexoxycarbonyl]benzoate Formula: C36H46IO8- MolecularWeight: 733.65011

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(COC(=O)C1=CC=CC=C1C(=O)[O-])C(C)I.C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3

Isomeric SMILES

CCCCC(COC(=O)C1=CC=CC=C1C(=O)[O-])C(C)I.C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3

InChI

InChI=1S/C20H26O4.C16H21IO4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16;1-3-4-7-12(11(2)17)10-21-16(20)14-9-6-5-8-13(14)15(18)19/h7-8,13-16H,1-6,9-12H2;5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,18,19)/p-1