benzenesulfonic acid; 1-methyl-4-methylsulfanyl-3-phenylsulfanyl-5-(3-propoxyphenyl)pyridin-1-ium

Systemtic Name: benzenesulfonic acid; 1-methyl-4-methylsulfanyl-3-phenylsulfanyl-5-(3-propoxyphenyl)pyridin-1-ium Openeye Name: benzenesulfonic acid; 1-methyl-4-methylsulfanyl-3-phenylsulfanyl-5-(3-propoxyphenyl)pyridin-1-ium CAS Name: benzenesulfonic acid; 1-methyl-4-(methylthio)-3-(phenylthio)-5-(3-propoxyphenyl)pyridin-1-ium IUPAC Name: benzenesulfonic acid; 1-methyl-4-methylsulfanyl-3-phenylsulfanyl-5-(3-propoxyphenyl)pyridin-1-ium Traditional Name: besylic acid; 1-methyl-4-(methylthio)-3-(phenylthio)-5-(3-propoxyphenyl)pyridin-1-ium Formula: C28H30NO4S3+ MolecularWeight: 540.7371

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=C[N+](=CC(=C2SC)SC3=CC=CC=C3)C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=C[N+](=CC(=C2SC)SC3=CC=CC=C3)C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H24NOS2.C6H6O3S/c1-4-13-24-18-10-8-9-17(14-18)20-15-23(2)16-21(22(20)25-3)26-19-11-6-5-7-12-19;7-10(8,9)6-4-2-1-3-5-6/h5-12,14-16H,4,13H2,1-3H3;1-5H,(H,7,8,9)/q+1;