4-bromanylbutyl 7-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]heptanoate

Systemtic Name: 4-bromanylbutyl 7-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]heptanoate Openeye Name: 4-bromobutyl 7-(3,4-dioxocyclohexa-1,5-dien-1-yl)heptanoate CAS Name: 7-(3,4-dioxo-1-cyclohexa-1,5-dienyl)heptanoic acid 4-bromobutyl ester IUPAC Name: 4-bromobutyl 7-(3,4-dioxocyclohexa-1,5-dien-1-yl)heptanoate Traditional Name: 7-(3,4-diketocyclohexa-1,5-dien-1-yl)enanthic acid 4-bromobutyl ester Formula: C17H23BrO4 MolecularWeight: 371.26612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=O)C=C1CCCCCCC(=O)OCCCCBr

Isomeric SMILES

C1=CC(=O)C(=O)C=C1CCCCCCC(=O)OCCCCBr

InChI

InChI=1S/C17H23BrO4/c18-11-5-6-12-22-17(21)8-4-2-1-3-7-14-9-10-15(19)16(20)13-14/h9-10,13H,1-8,11-12H2