ethyl (E)-7-(3-methoxy-4-oxidanyl-phenyl)-4-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]-5-oxidanylidene-hept-6-enoate; phenylcarbonyl benzenecarboperoxoate

Systemtic Name: ethyl (E)-7-(3-methoxy-4-oxidanyl-phenyl)-4-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]-5-oxidanylidene-hept-6-enoate; phenylcarbonyl benzenecarboperoxoate Openeye Name: benzoyl benzenecarboperoxoate; ethyl (E)-7-(4-hydroxy-3-methoxy-phenyl)-4-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]-5-oxo-hept-6-enoate CAS Name: benzenecarboperoxoic acid benzoyl ester; (E)-7-(4-hydroxy-3-methoxyphenyl)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]-5-oxo-6-heptenoic acid ethyl ester IUPAC Name: benzoyl benzenecarboperoxoate; ethyl (E)-7-(4-hydroxy-3-methoxyphenyl)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-5-oxohept-6-enoate Traditional Name: benzenecarboperoxoic acid benzoyl ester; (E)-7-(4-hydroxy-3-methoxy-phenyl)-4-[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]-5-keto-hept-6-enoic acid ethyl ester Formula: C40H38O12 MolecularWeight: 710.72252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)C=CC1=CC(=C(C=C1)O)OC)C(=O)C=CC2=CC(=C(C=C2)O)OC.C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C26H28O8.C14H10O4/c1-4-34-26(31)14-9-19(20(27)10-5-17-7-12-22(29)24(15-17)32-2)21(28)11-6-18-8-13-23(30)25(16-18)33-3;15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h5-8,10-13,15-16,19,29-30H,4,9,14H2,1-3H3;1-10H/b10-5+,11-6+;