(2E)-2-(1-oxidanylidene-1-phenoxy-undecan-3-ylidene)butanedioic acid

Systemtic Name: (2E)-2-(1-oxidanylidene-1-phenoxy-undecan-3-ylidene)butanedioic acid Openeye Name: (2E)-2-[1-(2-oxo-2-phenoxy-ethyl)nonylidene]butanedioic acid CAS Name: (2E)-2-(1-oxo-1-phenoxyundecan-3-ylidene)butanedioic acid IUPAC Name: (2E)-2-(1-oxo-1-phenoxyundecan-3-ylidene)butanedioic acid Traditional Name: (2E)-2-[1-(2-keto-2-phenoxy-ethyl)nonylidene]succinic acid Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=C(CC(=O)O)C(=O)O)CC(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC/C(=C(/CC(=O)O)\C(=O)O)/CC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C21H28O6/c1-2-3-4-5-6-8-11-16(18(21(25)26)15-19(22)23)14-20(24)27-17-12-9-7-10-13-17/h7,9-10,12-13H,2-6,8,11,14-15H2,1H3,(H,22,23)(H,25,26)/b18-16+