4,6-bis(chloranyl)-5-(2-methylsulfonyl-4-oxidanyl-phenoxy)-1H-indole-2-carboxylic acid; cyclopropane

Systemtic Name: 4,6-bis(chloranyl)-5-(2-methylsulfonyl-4-oxidanyl-phenoxy)-1H-indole-2-carboxylic acid; cyclopropane Openeye Name: cyclopropane; 4,6-dichloro-5-(4-hydroxy-2-methylsulfonyl-phenoxy)-1H-indole-2-carboxylic acid CAS Name: cyclopropane; 4,6-dichloro-5-(4-hydroxy-2-methylsulfonylphenoxy)-1H-indole-2-carboxylic acid IUPAC Name: cyclopropane; 4,6-dichloro-5-(4-hydroxy-2-methylsulfonylphenoxy)-1H-indole-2-carboxylic acid Traditional Name: cyclopropane; 4,6-dichloro-5-(4-hydroxy-2-mesyl-phenoxy)-1H-indole-2-carboxylic acid Formula: C19H17Cl2NO6S MolecularWeight: 458.31238

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)O)OC2=C(C=C3C(=C2Cl)C=C(N3)C(=O)O)Cl.C1CC1

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)O)OC2=C(C=C3C(=C2Cl)C=C(N3)C(=O)O)Cl.C1CC1

InChI

InChI=1S/C16H11Cl2NO6S.C3H6/c1-26(23,24)13-4-7(20)2-3-12(13)25-15-9(17)6-10-8(14(15)18)5-11(19-10)16(21)22;1-2-3-1/h2-6,19-20H,1H3,(H,21,22);1-3H2