(E)-but-2-enedioic acid; oxepan-2-one; phthalate; prop-2-enoic acid

Systemtic Name: (E)-but-2-enedioic acid; oxepan-2-one; phthalate; prop-2-enoic acid Openeye Name: acrylic acid; fumaric acid; oxepan-2-one; phthalate CAS Name: (E)-2-butenedioic acid; 2-oxepanone; phthalate; 2-propenoic acid IUPAC Name: (E)-but-2-enedioic acid; oxepan-2-one; phthalate; prop-2-enoic acid Traditional Name: acrylic acid; fumaric acid; oxepan-2-one; phthalate Formula: C21H22O12-2 MolecularWeight: 466.39218

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)O.C1CCC(=O)OCC1.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=CC(=O)O.C1CCC(=O)OCC1.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H6O4.C6H10O2.C4H4O4.C3H4O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;7-6-4-2-1-3-5-8-6;5-3(6)1-2-4(7)8;1-2-3(4)5/h1-4H,(H,9,10)(H,11,12);1-5H2;1-2H,(H,5,6)(H,7,8);2H,1H2,(H,4,5)/p-2/b;;2-1+;