4-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(3-chlorobenzothiophen-2-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(3-chloro-1-benzothiophen-2-yl)methylthio]benzoic acid IUPAC Name: 4-[(3-chloro-1-benzothiophen-2-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(3-chlorobenzothiophen-2-yl)methylthio]benzoic acid Formula: C16H11ClO2S2 MolecularWeight: 334.84034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)CSC3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)CSC3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C16H11ClO2S2/c17-15-12-3-1-2-4-13(12)21-14(15)9-20-11-7-5-10(6-8-11)16(18)19/h1-8H,9H2,(H,18,19)