(2E)-2-(1-butoxy-5-oxidanylidene-7-phenyl-heptan-3-ylidene)butanedioic acid

Systemtic Name: (2E)-2-(1-butoxy-5-oxidanylidene-7-phenyl-heptan-3-ylidene)butanedioic acid Openeye Name: (2E)-2-[1-(2-butoxyethyl)-3-oxo-5-phenyl-pentylidene]butanedioic acid CAS Name: (2E)-2-(1-butoxy-5-oxo-7-phenylheptan-3-ylidene)butanedioic acid IUPAC Name: (2E)-2-(1-butoxy-5-oxo-7-phenylheptan-3-ylidene)butanedioic acid Traditional Name: (2E)-2-[1-(2-butoxyethyl)-3-keto-5-phenyl-pentylidene]succinic acid Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC(=C(CC(=O)O)C(=O)O)CC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCOCC/C(=C(/CC(=O)O)\C(=O)O)/CC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C21H28O6/c1-2-3-12-27-13-11-17(19(21(25)26)15-20(23)24)14-18(22)10-9-16-7-5-4-6-8-16/h4-8H,2-3,9-15H2,1H3,(H,23,24)(H,25,26)/b19-17+