2-hexoxycarbonylbenzoate; 2-[2-(1-iodanylethyl)hexoxycarbonyl]benzoate

Systemtic Name: 2-hexoxycarbonylbenzoate; 2-[2-(1-iodanylethyl)hexoxycarbonyl]benzoate Openeye Name: 2-hexoxycarbonylbenzoate; 2-[2-(1-iodoethyl)hexoxycarbonyl]benzoate CAS Name: 2-[hexoxy(oxo)methyl]benzoate; 2-[2-(1-iodoethyl)hexoxy-oxomethyl]benzoate IUPAC Name: 2-hexoxycarbonylbenzoate; 2-[2-(1-iodoethyl)hexoxycarbonyl]benzoate Traditional Name: 2-hexoxycarbonylbenzoate; 2-[2-(1-iodoethyl)hexoxycarbonyl]benzoate Formula: C30H37IO8-2 MolecularWeight: 652.51445

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].CCCCC(COC(=O)C1=CC=CC=C1C(=O)[O-])C(C)I

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].CCCCC(COC(=O)C1=CC=CC=C1C(=O)[O-])C(C)I

InChI

InChI=1S/C16H21IO4.C14H18O4/c1-3-4-7-12(11(2)17)10-21-16(20)14-9-6-5-8-13(14)15(18)19;1-2-3-4-7-10-18-14(17)12-9-6-5-8-11(12)13(15)16/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,18,19);5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)/p-2