benzene-1,3-dicarboxylic acid; ethenoxyethene; prop-1-ene

Systemtic Name: benzene-1,3-dicarboxylic acid; ethenoxyethene; prop-1-ene Openeye Name: isophthalic acid; prop-1-ene; vinyloxyethylene CAS Name: benzene-1,3-dicarboxylic acid; ethenoxyethene; 1-propene IUPAC Name: benzene-1,3-dicarboxylic acid; ethenoxyethene; prop-1-ene Traditional Name: isophthalic acid; prop-1-ene; vinyloxyethylene Formula: C18H24O5 MolecularWeight: 320.38016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C4H6O.2C3H6/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-3-5-4-2;2*1-3-2/h1-4H,(H,9,10)(H,11,12);3-4H,1-2H2;2*3H,1H2,2H3