(3Z,6S,7R)-6-butanoyl-3-butylidene-7-oxidanyl-4,5,6,7-tetrahydro-2-benzofuran-1-one

Systemtic Name: (3Z,6S,7R)-6-butanoyl-3-butylidene-7-oxidanyl-4,5,6,7-tetrahydro-2-benzofuran-1-one Openeye Name: (3Z,6S,7R)-6-butanoyl-3-butylidene-7-hydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one CAS Name: (3Z,6S,7R)-3-butylidene-7-hydroxy-6-(1-oxobutyl)-4,5,6,7-tetrahydroisobenzofuran-1-one IUPAC Name: (3Z,6S,7R)-6-butanoyl-3-butylidene-7-hydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one Traditional Name: (3Z,6S,7R)-3-butylidene-6-butyryl-7-hydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C1C2=C(C(C(CC2)C(=O)CCC)O)C(=O)O1

Isomeric SMILES

CCC/C=C\1/C2=C([C@@H]([C@H](CC2)C(=O)CCC)O)C(=O)O1

InChI

InChI=1S/C16H22O4/c1-3-5-7-13-11-9-8-10(12(17)6-4-2)15(18)14(11)16(19)20-13/h7,10,15,18H,3-6,8-9H2,1-2H3/b13-7-/t10-,15-/m1/s1