2-(4-iodophenyl)octan-2-yl hydrogen carbonate

Systemtic Name: 2-(4-iodophenyl)octan-2-yl hydrogen carbonate Openeye Name: [1-(4-iodophenyl)-1-methyl-heptyl] hydrogen carbonate CAS Name: carbonic acid 2-(4-iodophenyl)octan-2-yl ester IUPAC Name: 2-(4-iodophenyl)octan-2-yl hydrogen carbonate Traditional Name: carbonic acid [1-(4-iodophenyl)-1-methyl-heptyl] ester Formula: C15H21IO3 MolecularWeight: 376.22991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C1=CC=C(C=C1)I)OC(=O)O

Isomeric SMILES

CCCCCCC(C)(C1=CC=C(C=C1)I)OC(=O)O

InChI

InChI=1S/C15H21IO3/c1-3-4-5-6-11-15(2,19-14(17)18)12-7-9-13(16)10-8-12/h7-10H,3-6,11H2,1-2H3,(H,17,18)