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

Systemtic Name: 4,6-bis(chloranyl)-5-(3-ethylsulfonyl-4-oxidanyl-phenoxy)-1H-indole-2-carboxylic acid Openeye Name: 4,6-dichloro-5-(3-ethylsulfonyl-4-hydroxy-phenoxy)-1H-indole-2-carboxylic acid CAS Name: 4,6-dichloro-5-(3-ethylsulfonyl-4-hydroxyphenoxy)-1H-indole-2-carboxylic acid IUPAC Name: 4,6-dichloro-5-(3-ethylsulfonyl-4-hydroxyphenoxy)-1H-indole-2-carboxylic acid Traditional Name: 4,6-dichloro-5-(3-esyl-4-hydroxy-phenoxy)-1H-indole-2-carboxylic acid Formula: C17H13Cl2NO6S MolecularWeight: 430.25922

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=CC(=C1)OC2=C(C=C3C(=C2Cl)C=C(N3)C(=O)O)Cl)O

Isomeric SMILES

CCS(=O)(=O)C1=C(C=CC(=C1)OC2=C(C=C3C(=C2Cl)C=C(N3)C(=O)O)Cl)O

InChI

InChI=1S/C17H13Cl2NO6S/c1-2-27(24,25)14-5-8(3-4-13(14)21)26-16-10(18)7-11-9(15(16)19)6-12(20-11)17(22)23/h3-7,20-21H,2H2,1H3,(H,22,23)