6-[[2,6-bis(chloranyl)phenyl]methoxy]-3-phenylsulfanyl-1H-indole-2-carboxylic acid

Systemtic Name: 6-[[2,6-bis(chloranyl)phenyl]methoxy]-3-phenylsulfanyl-1H-indole-2-carboxylic acid Openeye Name: 6-[(2,6-dichlorophenyl)methoxy]-3-phenylsulfanyl-1H-indole-2-carboxylic acid CAS Name: 6-[(2,6-dichlorophenyl)methoxy]-3-(phenylthio)-1H-indole-2-carboxylic acid IUPAC Name: 6-[(2,6-dichlorophenyl)methoxy]-3-phenylsulfanyl-1H-indole-2-carboxylic acid Traditional Name: 6-(2,6-dichlorobenzyl)oxy-3-(phenylthio)-1H-indole-2-carboxylic acid Formula: C22H15Cl2NO3S MolecularWeight: 444.3304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)OCC4=C(C=CC=C4Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)OCC4=C(C=CC=C4Cl)Cl)C(=O)O

InChI

InChI=1S/C22H15Cl2NO3S/c23-17-7-4-8-18(24)16(17)12-28-13-9-10-15-19(11-13)25-20(22(26)27)21(15)29-14-5-2-1-3-6-14/h1-11,25H,12H2,(H,26,27)