4-[(2-fluorophenyl)methylsulfanyl]benzoic acid; (sulfinoamino)methylbenzene

Systemtic Name: 4-[(2-fluorophenyl)methylsulfanyl]benzoic acid; (sulfinoamino)methylbenzene Openeye Name: 4-[(2-fluorophenyl)methylsulfanyl]benzoic acid; (sulfinoamino)methylbenzene CAS Name: 4-[(2-fluorophenyl)methylthio]benzoic acid; (sulfinoamino)methylbenzene IUPAC Name: 4-[(2-fluorophenyl)methylsulfanyl]benzoic acid; (sulfinoamino)methylbenzene Traditional Name: 4-[(2-fluorobenzyl)thio]benzoic acid; (sulfinoamino)methylbenzene Formula: C21H20FNO4S2 MolecularWeight: 433.516203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)O.C1=CC=C(C(=C1)CSC2=CC=C(C=C2)C(=O)O)F

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)O.C1=CC=C(C(=C1)CSC2=CC=C(C=C2)C(=O)O)F

InChI

InChI=1S/C14H11FO2S.C7H9NO2S/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17;9-11(10)8-6-7-4-2-1-3-5-7/h1-8H,9H2,(H,16,17);1-5,8H,6H2,(H,9,10)