sodium 1-[(E)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]but-1-enyl]cyclopentane-1-carboxylate

Systemtic Name: sodium 1-[(E)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]but-1-enyl]cyclopentane-1-carboxylate Openeye Name: sodium 1-[(E)-2-tert-butoxycarbonyl-4-methoxy-but-1-enyl]cyclopentanecarboxylate CAS Name: sodium 1-[(E)-4-methoxy-2-[(2-methylpropan-2-yl)oxy-oxomethyl]but-1-enyl]-1-cyclopentanecarboxylate IUPAC Name: sodium 1-[(E)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]but-1-enyl]cyclopentane-1-carboxylate Traditional Name: sodium 1-[(E)-2-tert-butoxycarbonyl-4-methoxy-but-1-enyl]cyclopentanecarboxylate Formula: C16H25NaO5 MolecularWeight: 320.35647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=CC1(CCCC1)C(=O)[O-])CCOC.[Na+]

Isomeric SMILES

CC(C)(C)OC(=O)/C(=C/C1(CCCC1)C(=O)[O-])/CCOC.[Na+]

InChI

InChI=1S/C16H26O5.Na/c1-15(2,3)21-13(17)12(7-10-20-4)11-16(14(18)19)8-5-6-9-16;/h11H,5-10H2,1-4H3,(H,18,19);/q;+1/p-1/b12-11+;