heptanoic acid; methyl 7-iodanyl-2,2-dimethyl-heptanoate

Systemtic Name: heptanoic acid; methyl 7-iodanyl-2,2-dimethyl-heptanoate Openeye Name: heptanoic acid; methyl 7-iodo-2,2-dimethyl-heptanoate CAS Name: heptanoic acid; 7-iodo-2,2-dimethylheptanoic acid methyl ester IUPAC Name: heptanoic acid; methyl 7-iodo-2,2-dimethylheptanoate Traditional Name: enanthic acid; 7-iodo-2,2-dimethyl-enanthic acid methyl ester Formula: C17H33IO4 MolecularWeight: 428.34599

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)O.CC(C)(CCCCCI)C(=O)OC

Isomeric SMILES

CCCCCCC(=O)O.CC(C)(CCCCCI)C(=O)OC

InChI

InChI=1S/C10H19IO2.C7H14O2/c1-10(2,9(12)13-3)7-5-4-6-8-11;1-2-3-4-5-6-7(8)9/h4-8H2,1-3H3;2-6H2,1H3,(H,8,9)