3-but-1-en-2-ylphthalic acid

Systemtic Name: 3-but-1-en-2-ylphthalic acid Openeye Name: 3-(1-methylenepropyl)phthalic acid CAS Name: 3-but-1-en-2-ylphthalic acid IUPAC Name: 3-but-1-en-2-ylphthalic acid Traditional Name: 3-(1-ethylvinyl)phthalic acid Formula: C12H12O4 MolecularWeight: 220.22128

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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)