sodium 2,2,3-trimethyl-3-(5-phenylpentoxycarbonyl)cyclopentane-1-carboxylate

Systemtic Name: sodium 2,2,3-trimethyl-3-(5-phenylpentoxycarbonyl)cyclopentane-1-carboxylate Openeye Name: sodium 2,2,3-trimethyl-3-(5-phenylpentoxycarbonyl)cyclopentanecarboxylate CAS Name: sodium 2,2,3-trimethyl-3-[oxo(5-phenylpentoxy)methyl]-1-cyclopentanecarboxylate IUPAC Name: sodium 2,2,3-trimethyl-3-(5-phenylpentoxycarbonyl)cyclopentane-1-carboxylate Traditional Name: sodium 2,2,3-trimethyl-3-(5-phenylpentoxycarbonyl)cyclopentanecarboxylate Formula: C21H29NaO4 MolecularWeight: 368.44233

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)OCCCCCC2=CC=CC=C2)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(CCC1(C)C(=O)OCCCCCC2=CC=CC=C2)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C21H30O4.Na/c1-20(2)17(18(22)23)13-14-21(20,3)19(24)25-15-9-5-8-12-16-10-6-4-7-11-16;/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3,(H,22,23);/q;+1/p-1