2-dimethylaminoethyl 4-[3-(dimethylamino)propylsulfanyl]benzoate; iodanylmethane

Systemtic Name: 2-dimethylaminoethyl 4-[3-(dimethylamino)propylsulfanyl]benzoate; iodanylmethane Openeye Name: 2-dimethylaminoethyl 4-[3-(dimethylamino)propylsulfanyl]benzoate; iodomethane CAS Name: 4-[3-(dimethylamino)propylthio]benzoic acid 2-dimethylaminoethyl ester; iodomethane IUPAC Name: 2-dimethylaminoethyl 4-[3-(dimethylamino)propylsulfanyl]benzoate; iodomethane Traditional Name: 4-[3-(dimethylamino)propylthio]benzoic acid 2-dimethylaminoethyl ester; iodomethane Formula: C18H32I2N2O2S MolecularWeight: 594.33282

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCSC1=CC=C(C=C1)C(=O)OCCN(C)C.CI.CI

Isomeric SMILES

CN(C)CCCSC1=CC=C(C=C1)C(=O)OCCN(C)C.CI.CI

InChI

InChI=1S/C16H26N2O2S.2CH3I/c1-17(2)10-5-13-21-15-8-6-14(7-9-15)16(19)20-12-11-18(3)4;2*1-2/h6-9H,5,10-13H2,1-4H3;2*1H3