4-[7-butyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydro-2-benzofuran-4-yl]butanoic acid

Systemtic Name: 4-[7-butyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydro-2-benzofuran-4-yl]butanoic acid Openeye Name: 4-(7-butyl-1,3-dioxo-3a,4,7,7a-tetrahydroisobenzofuran-4-yl)butanoic acid CAS Name: 4-(7-butyl-1,3-dioxo-3a,4,7,7a-tetrahydroisobenzofuran-4-yl)butanoic acid IUPAC Name: 4-(7-butyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-yl)butanoic acid Traditional Name: 4-(7-butyl-1,3-diketo-3a,4,7,7a-tetrahydroisobenzofuran-4-yl)butyric acid Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=CC(C2C1C(=O)OC2=O)CCCC(=O)O

Isomeric SMILES

CCCCC1C=CC(C2C1C(=O)OC2=O)CCCC(=O)O

InChI

InChI=1S/C16H22O5/c1-2-3-5-10-8-9-11(6-4-7-12(17)18)14-13(10)15(19)21-16(14)20/h8-11,13-14H,2-7H2,1H3,(H,17,18)