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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)OC(=O)C2(CCC(C2(C)C)C(=O)[O-])C.[Na+]

Isomeric SMILES

CCCCC(C1=CC=CC=C1)OC(=O)C2(CCC(C2(C)C)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C21H30O4.Na/c1-5-6-12-17(15-10-8-7-9-11-15)25-19(24)21(4)14-13-16(18(22)23)20(21,2)3;/h7-11,16-17H,5-6,12-14H2,1-4H3,(H,22,23);/q;+1/p-1