6-methylheptyl 2-(oxiran-2-yl)prop-2-enoate; (E)-4-methylidenepent-2-enedioic acid

Systemtic Name: 6-methylheptyl 2-(oxiran-2-yl)prop-2-enoate; (E)-4-methylidenepent-2-enedioic acid Openeye Name: (E)-4-methylenepent-2-enedioic acid; 6-methylheptyl 2-(oxiran-2-yl)prop-2-enoate CAS Name: (E)-4-methylene-2-pentenedioic acid; 2-(2-oxiranyl)-2-propenoic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl 2-(oxiran-2-yl)prop-2-enoate; (E)-4-methylidenepent-2-enedioic acid Traditional Name: (E)-4-methylenepent-2-enedioic acid; 2-(oxiran-2-yl)acrylic acid 6-methylheptyl ester Formula: C19H28O7 MolecularWeight: 368.42142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C(=C)C1CO1.C=C(C=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCCCCOC(=O)C(=C)C1CO1.C=C(/C=C/C(=O)O)C(=O)O

InChI

InChI=1S/C13H22O3.C6H6O4/c1-10(2)7-5-4-6-8-15-13(14)11(3)12-9-16-12;1-4(6(9)10)2-3-5(7)8/h10,12H,3-9H2,1-2H3;2-3H,1H2,(H,7,8)(H,9,10)/b;3-2+