(5-oxidanylidene-1,4-dioxacyclotetracos-2-yl)methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: (5-oxidanylidene-1,4-dioxacyclotetracos-2-yl)methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: (5-oxo-1,4-dioxacyclotetracos-2-yl)methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid (5-oxo-1,4-dioxacyclotetracos-2-yl)methyl ester IUPAC Name: (5-oxo-1,4-dioxacyclotetracos-2-yl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid (5-keto-1,4-dioxacyclotetracos-2-yl)methyl ester Formula: C33H52O7 MolecularWeight: 560.76178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2COC(=O)CCCCCCCCCCCCCCCCCCCO2)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2COC(=O)CCCCCCCCCCCCCCCCCCCO2)O

InChI

InChI=1S/C33H52O7/c1-37-31-25-28(20-22-30(31)34)21-23-33(36)40-27-29-26-39-32(35)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-24-38-29/h20-23,25,29,34H,2-19,24,26-27H2,1H3/b23-21+