(1E,6E)-1,7-bis(3-butoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione

Systemtic Name: (1E,6E)-1,7-bis(3-butoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione Openeye Name: (1E,6E)-1,7-bis(3-butoxy-4-hydroxy-phenyl)hepta-1,6-diene-3,5-dione CAS Name: (1E,6E)-1,7-bis(3-butoxy-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione IUPAC Name: (1E,6E)-1,7-bis(3-butoxy-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione Traditional Name: (1E,6E)-1,7-bis(3-butoxy-4-hydroxy-phenyl)hepta-1,6-diene-3,5-dione Formula: C27H32O6 MolecularWeight: 452.53938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OCCCC)O

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OCCCC)O

InChI

InChI=1S/C27H32O6/c1-3-5-15-32-26-17-20(9-13-24(26)30)7-11-22(28)19-23(29)12-8-21-10-14-25(31)27(18-21)33-16-6-4-2/h7-14,17-18,30-31H,3-6,15-16,19H2,1-2H3/b11-7+,12-8+