ethyl (2E,4E)-5-[(1S,2S)-2-[3,3-dimethyl-7-(3-oxidanylheptyl)-2H-1-benzofuran-5-yl]-2-methyl-cyclopropyl]-3-methyl-penta-2,4-dienoate

Systemtic Name: ethyl (2E,4E)-5-[(1S,2S)-2-[3,3-dimethyl-7-(3-oxidanylheptyl)-2H-1-benzofuran-5-yl]-2-methyl-cyclopropyl]-3-methyl-penta-2,4-dienoate Openeye Name: ethyl (2E,4E)-5-[(1S,2S)-2-[7-(3-hydroxyheptyl)-3,3-dimethyl-2H-benzofuran-5-yl]-2-methyl-cyclopropyl]-3-methyl-penta-2,4-dienoate CAS Name: (2E,4E)-5-[(1S,2S)-2-[7-(3-hydroxyheptyl)-3,3-dimethyl-2H-benzofuran-5-yl]-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4E)-5-[(1S,2S)-2-[7-(3-hydroxyheptyl)-3,3-dimethyl-2H-1-benzofuran-5-yl]-2-methylcyclopropyl]-3-methylpenta-2,4-dienoate Traditional Name: (2E,4E)-5-[(1S,2S)-2-[7-(3-hydroxyheptyl)-3,3-dimethyl-coumaran-5-yl]-2-methyl-cyclopropyl]-3-methyl-penta-2,4-dienoic acid ethyl ester Formula: C29H42O4 MolecularWeight: 454.64138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC1=CC(=CC2=C1OCC2(C)C)C3(CC3C=CC(=CC(=O)OCC)C)C)O

Isomeric SMILES

CCCCC(CCC1=CC(=CC2=C1OCC2(C)C)[C@]3(C[C@H]3/C=C/C(=C/C(=O)OCC)/C)C)O

InChI

InChI=1S/C29H42O4/c1-7-9-10-24(30)14-12-21-16-23(17-25-27(21)33-19-28(25,4)5)29(6)18-22(29)13-11-20(3)15-26(31)32-8-2/h11,13,15-17,22,24,30H,7-10,12,14,18-19H2,1-6H3/b13-11+,20-15+/t22-,24?,29+/m1/s1