3-(iodanylmethyl)heptan-4-yl phenylsulfanylmethanoate

Systemtic Name: 3-(iodanylmethyl)heptan-4-yl phenylsulfanylmethanoate Openeye Name: [2-(iodomethyl)-1-propyl-butyl] phenylsulfanylformate CAS Name: (phenylthio)formic acid 3-(iodomethyl)heptan-4-yl ester IUPAC Name: 3-(iodomethyl)heptan-4-yl phenylsulfanylformate Traditional Name: (phenylthio)formic acid [2-(iodomethyl)-1-propyl-butyl] ester Formula: C15H21IO2S MolecularWeight: 392.29551

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)CI)OC(=O)SC1=CC=CC=C1

Isomeric SMILES

CCCC(C(CC)CI)OC(=O)SC1=CC=CC=C1

InChI

InChI=1S/C15H21IO2S/c1-3-8-14(12(4-2)11-16)18-15(17)19-13-9-6-5-7-10-13/h5-7,9-10,12,14H,3-4,8,11H2,1-2H3