2-[(E)-but-2-enyl]-4-[3-(oxan-2-yloxy)pentyl]-3-oxidanylidene-pentanedioic acid

Systemtic Name: 2-[(E)-but-2-enyl]-4-[3-(oxan-2-yloxy)pentyl]-3-oxidanylidene-pentanedioic acid Openeye Name: 2-[(E)-but-2-enyl]-3-oxo-4-(3-tetrahydropyran-2-yloxypentyl)pentanedioic acid CAS Name: 2-[(E)-but-2-enyl]-4-[3-(2-oxanyloxy)pentyl]-3-oxopentanedioic acid IUPAC Name: 2-[(E)-but-2-enyl]-4-[3-(oxan-2-yloxy)pentyl]-3-oxopentanedioic acid Traditional Name: 2-[(E)-but-2-enyl]-3-keto-4-(3-tetrahydropyran-2-yloxypentyl)glutaric acid Formula: C19H30O7 MolecularWeight: 370.4373

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C(=O)C(CC=CC)C(=O)O)C(=O)O)OC1CCCCO1

Isomeric SMILES

CCC(CCC(C(=O)C(C/C=C/C)C(=O)O)C(=O)O)OC1CCCCO1

InChI

InChI=1S/C19H30O7/c1-3-5-8-14(18(21)22)17(20)15(19(23)24)11-10-13(4-2)26-16-9-6-7-12-25-16/h3,5,13-16H,4,6-12H2,1-2H3,(H,21,22)(H,23,24)/b5-3+