4,6-bis(chloranyl)-5-[3-(cyclobutylmethylsulfonyl)-4-oxidanyl-phenoxy]-1H-indole-2-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-5-[3-(cyclobutylmethylsulfonyl)-4-oxidanyl-phenoxy]-1H-indole-2-carboxylic acid Openeye Name: 4,6-dichloro-5-[3-(cyclobutylmethylsulfonyl)-4-hydroxy-phenoxy]-1H-indole-2-carboxylic acid CAS Name: 4,6-dichloro-5-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]-1H-indole-2-carboxylic acid IUPAC Name: 4,6-dichloro-5-[3-(cyclobutylmethylsulfonyl)-4-hydroxyphenoxy]-1H-indole-2-carboxylic acid Traditional Name: 4,6-dichloro-5-[3-(cyclobutylmethylsulfonyl)-4-hydroxy-phenoxy]-1H-indole-2-carboxylic acid Formula: C20H17Cl2NO6S MolecularWeight: 470.32308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CS(=O)(=O)C2=C(C=CC(=C2)OC3=C(C=C4C(=C3Cl)C=C(N4)C(=O)O)Cl)O

Isomeric SMILES

C1CC(C1)CS(=O)(=O)C2=C(C=CC(=C2)OC3=C(C=C4C(=C3Cl)C=C(N4)C(=O)O)Cl)O

InChI

InChI=1S/C20H17Cl2NO6S/c21-13-8-14-12(7-15(23-14)20(25)26)18(22)19(13)29-11-4-5-16(24)17(6-11)30(27,28)9-10-2-1-3-10/h4-8,10,23-24H,1-3,9H2,(H,25,26)