(E)-but-2-enoate; 1,2-dioxolan-4-ylmethanol

Systemtic Name: (E)-but-2-enoate; 1,2-dioxolan-4-ylmethanol Openeye Name: (E)-but-2-enoate; dioxolan-4-ylmethanol CAS Name: (E)-2-butenoate; 4-dioxolanylmethanol IUPAC Name: (E)-but-2-enoate; dioxolan-4-ylmethanol Traditional Name: (E)-but-2-enoate; dioxolan-4-ylmethanol Formula: C8H13O5- MolecularWeight: 189.18582

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)[O-].C1C(COO1)CO

Isomeric SMILES

C/C=C/C(=O)[O-].C1C(COO1)CO

InChI

InChI=1S/C4H8O3.C4H6O2/c5-1-4-2-6-7-3-4;1-2-3-4(5)6/h4-5H,1-3H2;2-3H,1H3,(H,5,6)/p-1/b;3-2+