6-[(E)-7-azido-7-oxidanylidene-hept-5-en-2-yl]-3-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-2-oxidanyl-pyran-4-one

Systemtic Name: 6-[(E)-7-azido-7-oxidanylidene-hept-5-en-2-yl]-3-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-2-oxidanyl-pyran-4-one Openeye Name: (E)-6-[5-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-6-hydroxy-4-oxo-pyran-2-yl]hept-2-enoyl azide CAS Name: 6-[(E)-7-azido-7-oxohept-5-en-2-yl]-3-[(2E,4E)-2,5-dimethyl-1-oxoocta-2,4-dienyl]-2-hydroxy-4-pyranone IUPAC Name: (E)-6-[5-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-6-hydroxy-4-oxopyran-2-yl]hept-2-enoyl azide Traditional Name: 6-[(E)-6-azido-6-keto-1-methyl-hex-4-enyl]-3-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-2-hydroxy-pyran-4-one Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC=C(C)C(=O)C1=C(OC(=CC1=O)C(C)CCC=CC(=O)N=[N+]=[N-])O)C

Isomeric SMILES

CCC/C(=C/C=C(\C)/C(=O)C1=C(OC(=CC1=O)C(C)CC/C=C/C(=O)N=[N+]=[N-])O)/C

InChI

InChI=1S/C22H27N3O5/c1-5-8-14(2)11-12-16(4)21(28)20-17(26)13-18(30-22(20)29)15(3)9-6-7-10-19(27)24-25-23/h7,10-13,15,29H,5-6,8-9H2,1-4H3/b10-7+,14-11+,16-12+