3,4-bis(prop-2-enyl)phthalic acid; prop-2-enenitrile

Systemtic Name: 3,4-bis(prop-2-enyl)phthalic acid; prop-2-enenitrile Openeye Name: 3,4-diallylphthalic acid; prop-2-enenitrile CAS Name: 3,4-bis(prop-2-enyl)phthalic acid; 2-propenenitrile IUPAC Name: 3,4-bis(prop-2-enyl)phthalic acid; prop-2-enenitrile Traditional Name: acrylonitrile; 3,4-diallylphthalic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC=C.C=CC#N

Isomeric SMILES

C=CCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC=C.C=CC#N

InChI

InChI=1S/C14H14O4.C3H3N/c1-3-5-9-7-8-11(13(15)16)12(14(17)18)10(9)6-4-2;1-2-3-4/h3-4,7-8H,1-2,5-6H2,(H,15,16)(H,17,18);2H,1H2