benzene-1,3-dicarboxylate; 2,3-dimethylbuta-1,3-diene

Systemtic Name: benzene-1,3-dicarboxylate; 2,3-dimethylbuta-1,3-diene Openeye Name: benzene-1,3-dicarboxylate; 2,3-dimethylbuta-1,3-diene CAS Name: benzene-1,3-dicarboxylate; 2,3-dimethylbuta-1,3-diene IUPAC Name: benzene-1,3-dicarboxylate; 2,3-dimethylbuta-1,3-diene Traditional Name: 2,3-dimethylbuta-1,3-diene; isophthalate Formula: C22H18O8-4 MolecularWeight: 410.37352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H6O4.C6H10/c2*9-7(10)5-2-1-3-6(4-5)8(11)12;1-5(2)6(3)4/h2*1-4H,(H,9,10)(H,11,12);1,3H2,2,4H3/p-4