2-methylidene-5-oxidanyl-3-(2-oxidanylpropyl)octanoic acid

Systemtic Name: 2-methylidene-5-oxidanyl-3-(2-oxidanylpropyl)octanoic acid Openeye Name: 5-hydroxy-3-(2-hydroxypropyl)-2-methylene-octanoic acid CAS Name: 5-hydroxy-3-(2-hydroxypropyl)-2-methyleneoctanoic acid IUPAC Name: 5-hydroxy-3-(2-hydroxypropyl)-2-methylideneoctanoic acid Traditional Name: 2-[3-hydroxy-1-(2-hydroxypropyl)hexyl]acrylic acid Formula: C12H22O4 MolecularWeight: 230.30068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(CC(C)O)C(=C)C(=O)O)O

Isomeric SMILES

CCCC(CC(CC(C)O)C(=C)C(=O)O)O

InChI

InChI=1S/C12H22O4/c1-4-5-11(14)7-10(6-8(2)13)9(3)12(15)16/h8,10-11,13-14H,3-7H2,1-2H3,(H,15,16)