4-[(4-iodophenyl)methylsulfanyl]-3-methyl-benzoic acid; (sulfinoamino)ethane

Systemtic Name: 4-[(4-iodophenyl)methylsulfanyl]-3-methyl-benzoic acid; (sulfinoamino)ethane Openeye Name: 4-[(4-iodophenyl)methylsulfanyl]-3-methyl-benzoic acid; (sulfinoamino)ethane CAS Name: 4-[(4-iodophenyl)methylthio]-3-methylbenzoic acid; (sulfinoamino)ethane IUPAC Name: 4-[(4-iodophenyl)methylsulfanyl]-3-methylbenzoic acid; (sulfinoamino)ethane Traditional Name: 4-[(4-iodobenzyl)thio]-3-methyl-benzoic acid; (sulfinoamino)ethane Formula: C17H20INO4S2 MolecularWeight: 493.37947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)O.CC1=C(C=CC(=C1)C(=O)O)SCC2=CC=C(C=C2)I

Isomeric SMILES

CCNS(=O)O.CC1=C(C=CC(=C1)C(=O)O)SCC2=CC=C(C=C2)I

InChI

InChI=1S/C15H13IO2S.C2H7NO2S/c1-10-8-12(15(17)18)4-7-14(10)19-9-11-2-5-13(16)6-3-11;1-2-3-6(4)5/h2-8H,9H2,1H3,(H,17,18);3H,2H2,1H3,(H,4,5)