sodium 3-[6-chloranyl-3-(2-methylpropyl)indol-1-yl]benzoate

Systemtic Name: sodium 3-[6-chloranyl-3-(2-methylpropyl)indol-1-yl]benzoate Openeye Name: sodium 3-(6-chloro-3-isobutyl-indol-1-yl)benzoate CAS Name: sodium 3-[6-chloro-3-(2-methylpropyl)-1-indolyl]benzoate IUPAC Name: sodium 3-[6-chloro-3-(2-methylpropyl)indol-1-yl]benzoate Traditional Name: sodium 3-(6-chloro-3-isobutyl-indol-1-yl)benzoate Formula: C19H17ClNNaO2 MolecularWeight: 349.78655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CN(C2=C1C=CC(=C2)Cl)C3=CC=CC(=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CC1=CN(C2=C1C=CC(=C2)Cl)C3=CC=CC(=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H18ClNO2.Na/c1-12(2)8-14-11-21(18-10-15(20)6-7-17(14)18)16-5-3-4-13(9-16)19(22)23;/h3-7,9-12H,8H2,1-2H3,(H,22,23);/q;+1/p-1