3-octan-3-ylindazole-1-carboxylate hydrochloride

Systemtic Name: 3-octan-3-ylindazole-1-carboxylate hydrochloride Openeye Name: 3-(1-ethylhexyl)indazole-1-carboxylate hydrochloride CAS Name: 3-octan-3-yl-1-indazolecarboxylate hydrochloride IUPAC Name: 3-octan-3-ylindazole-1-carboxylate hydrochloride Traditional Name: 3-(1-ethylhexyl)indazole-1-carboxylate hydrochloride Formula: C16H22ClN2O2- MolecularWeight: 309.81108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=NN(C2=CC=CC=C21)C(=O)[O-].Cl

Isomeric SMILES

CCCCCC(CC)C1=NN(C2=CC=CC=C21)C(=O)[O-].Cl

InChI

InChI=1S/C16H22N2O2.ClH/c1-3-5-6-9-12(4-2)15-13-10-7-8-11-14(13)18(17-15)16(19)20;/h7-8,10-12H,3-6,9H2,1-2H3,(H,19,20);1H/p-1