[5-methyl-2-[(E)-3-methyloct-2-enyl]-6-oxidanylidene-3-propyl-pyran-4-yl] benzoate

Systemtic Name: [5-methyl-2-[(E)-3-methyloct-2-enyl]-6-oxidanylidene-3-propyl-pyran-4-yl] benzoate Openeye Name: [5-methyl-2-[(E)-3-methyloct-2-enyl]-6-oxo-3-propyl-pyran-4-yl] benzoate CAS Name: benzoic acid [5-methyl-2-[(E)-3-methyloct-2-enyl]-6-oxo-3-propyl-4-pyranyl] ester IUPAC Name: [5-methyl-2-[(E)-3-methyloct-2-enyl]-6-oxo-3-propylpyran-4-yl] benzoate Traditional Name: benzoic acid [2-keto-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-pyran-4-yl] ester Formula: C25H32O4 MolecularWeight: 396.51918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CCC1=C(C(=C(C(=O)O1)C)OC(=O)C2=CC=CC=C2)CCC)C

Isomeric SMILES

CCCCC/C(=C/CC1=C(C(=C(C(=O)O1)C)OC(=O)C2=CC=CC=C2)CCC)/C

InChI

InChI=1S/C25H32O4/c1-5-7-9-13-18(3)16-17-22-21(12-6-2)23(19(4)24(26)28-22)29-25(27)20-14-10-8-11-15-20/h8,10-11,14-16H,5-7,9,12-13,17H2,1-4H3/b18-16+