(E)-2-ethyl-2,3-bis(oxidanyl)henicos-12-enoic acid

Systemtic Name: (E)-2-ethyl-2,3-bis(oxidanyl)henicos-12-enoic acid Openeye Name: (E)-2-ethyl-2,3-dihydroxy-henicos-12-enoic acid CAS Name: (E)-2-ethyl-2,3-dihydroxy-12-heneicosenoic acid IUPAC Name: (E)-2-ethyl-2,3-dihydroxyhenicos-12-enoic acid Traditional Name: (E)-2-ethyl-2,3-dihydroxy-heneicos-12-enoic acid Formula: C23H44O4 MolecularWeight: 384.59306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(C(CC)(C(=O)O)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(C(CC)(C(=O)O)O)O

InChI

InChI=1S/C23H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(24)23(27,4-2)22(25)26/h11-12,21,24,27H,3-10,13-20H2,1-2H3,(H,25,26)/b12-11+