octane; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: octane; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-hydroxy-4-oxo-but-2-enoate; octane CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; octane IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; octane Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; n-octane Formula: C12H21O4- MolecularWeight: 229.29274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCC.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C8H18.C4H4O4/c1-3-5-7-8-6-4-2;5-3(6)1-2-4(7)8/h3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+