sodium 5-[6-chloranyl-3-(2-methylpropyl)indol-1-yl]thiophene-2-carboxylate

Systemtic Name: sodium 5-[6-chloranyl-3-(2-methylpropyl)indol-1-yl]thiophene-2-carboxylate Openeye Name: sodium 5-(6-chloro-3-isobutyl-indol-1-yl)thiophene-2-carboxylate CAS Name: sodium 5-[6-chloro-3-(2-methylpropyl)-1-indolyl]-2-thiophenecarboxylate IUPAC Name: sodium 5-[6-chloro-3-(2-methylpropyl)indol-1-yl]thiophene-2-carboxylate Traditional Name: sodium 5-(6-chloro-3-isobutyl-indol-1-yl)-2-thenoate Formula: C17H15ClNNaO2S MolecularWeight: 355.81427

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CN(C2=C1C=CC(=C2)Cl)C3=CC=C(S3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CC1=CN(C2=C1C=CC(=C2)Cl)C3=CC=C(S3)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H16ClNO2S.Na/c1-10(2)7-11-9-19(14-8-12(18)3-4-13(11)14)16-6-5-15(22-16)17(20)21;/h3-6,8-10H,7H2,1-2H3,(H,20,21);/q;+1/p-1