2-[[6-[(2-sulfinophenyl)sulfanylmethyl]pyridin-2-yl]methylsulfanyl]benzenesulfinic acid

Systemtic Name: 2-[[6-[(2-sulfinophenyl)sulfanylmethyl]pyridin-2-yl]methylsulfanyl]benzenesulfinic acid Openeye Name: 2-[[6-[(2-sulfinophenyl)sulfanylmethyl]-2-pyridyl]methylsulfanyl]benzenesulfinic acid CAS Name: 2-[[6-[[(2-sulfinophenyl)thio]methyl]-2-pyridinyl]methylthio]benzenesulfinic acid IUPAC Name: 2-[[6-[(2-sulfinophenyl)sulfanylmethyl]pyridin-2-yl]methylsulfanyl]benzenesulfinic acid Traditional Name: 2-[[6-[[(2-sulfinophenyl)thio]methyl]-2-pyridyl]methylthio]benzenesulfinic acid Formula: C19H17NO4S4 MolecularWeight: 451.60258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCC2=NC(=CC=C2)CSC3=CC=CC=C3S(=O)O)S(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)SCC2=NC(=CC=C2)CSC3=CC=CC=C3S(=O)O)S(=O)O

InChI

InChI=1S/C19H17NO4S4/c21-27(22)18-10-3-1-8-16(18)25-12-14-6-5-7-15(20-14)13-26-17-9-2-4-11-19(17)28(23)24/h1-11H,12-13H2,(H,21,22)(H,23,24)