3-but-1-en-2-ylphthalate

Systemtic Name: 3-but-1-en-2-ylphthalate Openeye Name: 3-(1-methylenepropyl)phthalate CAS Name: 3-but-1-en-2-ylphthalate IUPAC Name: 3-but-1-en-2-ylphthalate Traditional Name: 3-(1-ethylvinyl)phthalate Formula: C12H10O4-2 MolecularWeight: 218.2054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C1=C(C(=CC=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(=C)C1=C(C(=CC=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H12O4/c1-3-7(2)8-5-4-6-9(11(13)14)10(8)12(15)16/h4-6H,2-3H2,1H3,(H,13,14)(H,15,16)/p-2