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

Systemtic Name: heptane; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: heptane; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: heptane; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: heptane; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; n-heptane Formula: C11H19O4- MolecularWeight: 215.26616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H16.C4H4O4/c1-3-5-7-6-4-2;5-3(6)1-2-4(7)8/h3-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+