iodanylmethane; 2-methylsulfanylethyl 2,2-bis(2-methylphenyl)-2-oxidanyl-ethanoate

Systemtic Name: iodanylmethane; 2-methylsulfanylethyl 2,2-bis(2-methylphenyl)-2-oxidanyl-ethanoate Openeye Name: iodomethane; 2-methylsulfanylethyl 2-hydroxy-2,2-bis(o-tolyl)acetate CAS Name: 2-hydroxy-2,2-bis(2-methylphenyl)acetic acid 2-(methylthio)ethyl ester; iodomethane IUPAC Name: iodomethane; 2-methylsulfanylethyl 2-hydroxy-2,2-bis(2-methylphenyl)acetate Traditional Name: 2-hydroxy-2,2-bis(o-tolyl)acetic acid 2-(methylthio)ethyl ester; iodomethane Formula: C20H25IO3S MolecularWeight: 472.38017

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2C)(C(=O)OCCSC)O.CI

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2C)(C(=O)OCCSC)O.CI

InChI

InChI=1S/C19H22O3S.CH3I/c1-14-8-4-6-10-16(14)19(21,18(20)22-12-13-23-3)17-11-7-5-9-15(17)2;1-2/h4-11,21H,12-13H2,1-3H3;1H3