methyl 8-[(4R,5S)-5-(6-iodanylhexyl)-2,2-dimethyl-1,3-dioxolan-4-yl]octanoate

Systemtic Name: methyl 8-[(4R,5S)-5-(6-iodanylhexyl)-2,2-dimethyl-1,3-dioxolan-4-yl]octanoate Openeye Name: methyl 8-[(4R,5S)-5-(6-iodohexyl)-2,2-dimethyl-1,3-dioxolan-4-yl]octanoate CAS Name: 8-[(4R,5S)-5-(6-iodohexyl)-2,2-dimethyl-1,3-dioxolan-4-yl]octanoic acid methyl ester IUPAC Name: methyl 8-[(4R,5S)-5-(6-iodohexyl)-2,2-dimethyl-1,3-dioxolan-4-yl]octanoate Traditional Name: 8-[(4R,5S)-5-(6-iodohexyl)-2,2-dimethyl-1,3-dioxolan-4-yl]caprylic acid methyl ester Formula: C20H37IO4 MolecularWeight: 468.40985

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)CCCCCCI)CCCCCCCC(=O)OC)C

Isomeric SMILES

CC1(O[C@@H]([C@@H](O1)CCCCCCI)CCCCCCCC(=O)OC)C

InChI

InChI=1S/C20H37IO4/c1-20(2)24-17(18(25-20)14-10-7-8-12-16-21)13-9-5-4-6-11-15-19(22)23-3/h17-18H,4-16H2,1-3H3/t17-,18+/m1/s1