tert-butyl (E)-2-[(3-methoxy-4-oxidanyl-phenyl)methyl]-3-oxidanylidene-dec-4-enoate

Systemtic Name: tert-butyl (E)-2-[(3-methoxy-4-oxidanyl-phenyl)methyl]-3-oxidanylidene-dec-4-enoate Openeye Name: tert-butyl (E)-2-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-oxo-dec-4-enoate CAS Name: (E)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-oxo-4-decenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-oxodec-4-enoate Traditional Name: (E)-3-keto-2-vanillyl-dec-4-enoic acid tert-butyl ester Formula: C22H32O5 MolecularWeight: 376.48648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(=O)C(CC1=CC(=C(C=C1)O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC/C=C/C(=O)C(CC1=CC(=C(C=C1)O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H32O5/c1-6-7-8-9-10-11-18(23)17(21(25)27-22(2,3)4)14-16-12-13-19(24)20(15-16)26-5/h10-13,15,17,24H,6-9,14H2,1-5H3/b11-10+