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2-(phenanthridin-6-ylmethylsulfanyl)benzoic acid

2-(phenanthridin-6-ylmethylsulfanyl)benzoic acid

Systemtic Name:2-(phenanthridin-6-ylmethylsulfanyl)benzoic acid
Openeye Name:2-(phenanthridin-6-ylmethylsulfanyl)benzoic acid
CAS Name:2-(6-phenanthridinylmethylthio)benzoic acid
IUPAC Name:2-(phenanthridin-6-ylmethylsulfanyl)benzoic acid
Traditional Name:2-(phenanthridin-6-ylmethylthio)benzoic acid
Formula: C21H15NO2S
MolecularWeight: 345.4143
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2CSC4=CC=CC=C4C(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2CSC4=CC=CC=C4C(=O)O


InChI

InChI=1S/C21H15NO2S/c23-21(24)17-10-4-6-12-20(17)25-13-19-16-9-2-1-7-14(16)15-8-3-5-11-18(15)22-19/h1-12H,13H2,(H,23,24)


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