benzene-1,2,4,5-tetracarboxylic acid; 2-oxidanylpropyl (Z)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: benzene-1,2,4,5-tetracarboxylic acid; 2-oxidanylpropyl (Z)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: benzene-1,2,4,5-tetracarboxylic acid; 2-hydroxypropyl (Z)-2-cyano-3-phenyl-prop-2-enoate CAS Name: benzene-1,2,4,5-tetracarboxylic acid; (Z)-2-cyano-3-phenyl-2-propenoic acid 2-hydroxypropyl ester IUPAC Name: benzene-1,2,4,5-tetracarboxylic acid; 2-hydroxypropyl (Z)-2-cyano-3-phenylprop-2-enoate Traditional Name: (Z)-2-cyano-3-phenyl-acrylic acid 2-hydroxypropyl ester; pyromellitic acid Formula: C36H32N2O14 MolecularWeight: 716.64428

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(=CC1=CC=CC=C1)C#N)O.CC(COC(=O)C(=CC1=CC=CC=C1)C#N)O.C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(O)COC(=O)/C(=C\C1=CC=CC=C1)/C#N.CC(O)COC(=O)/C(=C\C1=CC=CC=C1)/C#N.C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/2C13H13NO3.C10H6O8/c2*1-10(15)9-17-13(16)12(8-14)7-11-5-3-2-4-6-11;11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h2*2-7,10,15H,9H2,1H3;1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/b2*12-7-;