sodium 2-[1-(2-methanoyloxy-3,4-dimethyl-pent-3-enoxy)-1-oxidanylidene-butan-2-yl]-4-oxidanyl-hexanoate

Systemtic Name: sodium 2-[1-(2-methanoyloxy-3,4-dimethyl-pent-3-enoxy)-1-oxidanylidene-butan-2-yl]-4-oxidanyl-hexanoate Openeye Name: sodium 2-[1-(2-formyloxy-3,4-dimethyl-pent-3-enoxy)carbonylpropyl]-4-hydroxy-hexanoate CAS Name: sodium 2-[1-(2-formyloxy-3,4-dimethylpent-3-enoxy)-1-oxobutan-2-yl]-4-hydroxyhexanoate IUPAC Name: sodium 2-[1-(2-formyloxy-3,4-dimethylpent-3-enoxy)-1-oxobutan-2-yl]-4-hydroxyhexanoate Traditional Name: sodium 2-[1-(2-formyloxy-3,4-dimethyl-pent-3-enoxy)carbonylpropyl]-4-hydroxy-hexanoate Formula: C18H29NaO7 MolecularWeight: 380.40843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(CC)C(=O)OCC(C(=C(C)C)C)OC=O)C(=O)[O-])O.[Na+]

Isomeric SMILES

CCC(CC(C(CC)C(=O)OCC(C(=C(C)C)C)OC=O)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C18H30O7.Na/c1-6-13(20)8-15(17(21)22)14(7-2)18(23)24-9-16(25-10-19)12(5)11(3)4;/h10,13-16,20H,6-9H2,1-5H3,(H,21,22);/q;+1/p-1