(1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione; phenethyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: (1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione; phenethyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione; phenethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid phenethyl ester IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; phenethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione; (E)-3-(3,4-dihydroxyphenyl)acrylic acid phenethyl ester Formula: C38H36O10 MolecularWeight: 652.68644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O.C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O.C1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C21H20O6.C17H16O4/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2;18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h3-12,24-25H,13H2,1-2H3;1-9,12,18-19H,10-11H2/b7-3+,8-4+;9-7+