3-[(2-fluorophenyl)methylsulfanyl]benzoic acid; (sulfinoamino)benzene

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanyl]benzoic acid; (sulfinoamino)benzene Openeye Name: 3-[(2-fluorophenyl)methylsulfanyl]benzoic acid; (sulfinoamino)benzene CAS Name: 3-[(2-fluorophenyl)methylthio]benzoic acid; (sulfinoamino)benzene IUPAC Name: 3-[(2-fluorophenyl)methylsulfanyl]benzoic acid; (sulfinoamino)benzene Traditional Name: 3-[(2-fluorobenzyl)thio]benzoic acid; (sulfinoamino)benzene Formula: C20H18FNO4S2 MolecularWeight: 419.489623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11FO2S.C6H7NO2S/c15-13-7-2-1-4-11(13)9-18-12-6-3-5-10(8-12)14(16)17;8-10(9)7-6-4-2-1-3-5-6/h1-8H,9H2,(H,16,17);1-5,7H,(H,8,9)