benzene-1,3-dicarboxylic acid; 1-ethenoxybutane

Systemtic Name: benzene-1,3-dicarboxylic acid; 1-ethenoxybutane Openeye Name: isophthalic acid; 1-vinyloxybutane CAS Name: benzene-1,3-dicarboxylic acid; 1-ethenoxybutane IUPAC Name: benzene-1,3-dicarboxylic acid; 1-ethenoxybutane Traditional Name: isophthalic acid; 1-vinyloxybutane Formula: C14H18O5 MolecularWeight: 266.28972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC=C.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCOC=C.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C8H6O4.C6H12O/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-3-5-6-7-4-2/h1-4H,(H,9,10)(H,11,12);4H,2-3,5-6H2,1H3