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

Systemtic Name: 2-[(2-methoxyphenyl)methylsulfanyl]benzoic acid; (sulfinoamino)benzene Openeye Name: 2-[(2-methoxyphenyl)methylsulfanyl]benzoic acid; (sulfinoamino)benzene CAS Name: 2-[(2-methoxyphenyl)methylthio]benzoic acid; (sulfinoamino)benzene IUPAC Name: 2-[(2-methoxyphenyl)methylsulfanyl]benzoic acid; (sulfinoamino)benzene Traditional Name: 2-(o-anisylthio)benzoic acid; (sulfinoamino)benzene Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=CC=CC=C2C(=O)O.C1=CC=C(C=C1)NS(=O)O

Isomeric SMILES

COC1=CC=CC=C1CSC2=CC=CC=C2C(=O)O.C1=CC=C(C=C1)NS(=O)O

InChI

InChI=1S/C15H14O3S.C6H7NO2S/c1-18-13-8-4-2-6-11(13)10-19-14-9-5-3-7-12(14)15(16)17;8-10(9)7-6-4-2-1-3-5-6/h2-9H,10H2,1H3,(H,16,17);1-5,7H,(H,8,9)