3-[3,4-bis(oxidanyl)phenyl]-2-[[2-[3,4-bis(oxidanyl)phenyl]-4-[2-[(E)-3-[2-[3,4-bis(oxidanyl)phenyl]-3-[3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]oxycarbonyl-7-oxidanyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-oxidanyl-3-oxidanylidene-propyl]-7-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]carbonyloxy]propanoic acid

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-2-[[2-[3,4-bis(oxidanyl)phenyl]-4-[2-[(E)-3-[2-[3,4-bis(oxidanyl)phenyl]-3-[3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]oxycarbonyl-7-oxidanyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-oxidanyl-3-oxidanylidene-propyl]-7-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]carbonyloxy]propanoic acid Openeye Name: 3-(3,4-dihydroxyphenyl)-2-[2-(3,4-dihydroxyphenyl)-4-[2-[(E)-3-[2-(3,4-dihydroxyphenyl)-3-[1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxo-ethoxy]carbonyl-7-hydroxy-2,3-dihydrobenzofuran-4-yl]prop-2-enoyl]oxy-3-hydroxy-3-oxo-propyl]-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl]oxy-propanoic acid CAS Name: 3-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-4-[2-[(E)-3-[2-(3,4-dihydroxyphenyl)-3-[[3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]oxy-oxomethyl]-7-hydroxy-2,3-dihydrobenzofuran-4-yl]-1-oxoprop-2-enoxy]-3-hydroxy-3-oxopropyl]-7-hydroxy-2,3-dihydrobenzofuran-3-yl]-oxomethoxy]propanoic acid IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-[2-(3,4-dihydroxyphenyl)-4-[2-[(E)-3-[2-(3,4-dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]oxycarbonyl-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-hydroxy-3-oxopropyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carbonyl]oxypropanoic acid Traditional Name: 3-(3,4-dihydroxyphenyl)-2-[2-(3,4-dihydroxyphenyl)-4-[2-[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(2-hydroxy-2-keto-1-protocatechuyl-ethoxy)carbonyl-coumaran-4-yl]acryloyl]oxy-3-hydroxy-3-keto-propyl]-7-hydroxy-coumaran-3-carbonyl]oxy-propionic acid Formula: C54H44O24 MolecularWeight: 1076.91276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(OC3=C(C=CC(=C23)CC(C(=O)O)OC(=O)C=CC4=C5C(C(OC5=C(C=C4)O)C6=CC(=C(C=C6)O)O)C(=O)OC(CC7=CC(=C(C=C7)O)O)C(=O)O)O)C8=CC(=C(C=C8)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(OC3=C(C=CC(=C23)CC(C(=O)O)OC(=O)/C=C/C4=C5C(C(OC5=C(C=C4)O)C6=CC(=C(C=C6)O)O)C(=O)OC(CC7=CC(=C(C=C7)O)O)C(=O)O)O)C8=CC(=C(C=C8)O)O)O)O

InChI

InChI=1S/C54H44O24/c55-28-8-1-22(15-34(28)61)17-38(50(66)67)75-53(72)44-42-24(3-12-32(59)48(42)77-46(44)26-5-10-30(57)36(63)19-26)7-14-41(65)74-40(52(70)71)21-25-4-13-33(60)49-43(25)45(47(78-49)27-6-11-31(58)37(64)20-27)54(73)76-39(51(68)69)18-23-2-9-29(56)35(62)16-23/h1-16,19-20,38-40,44-47,55-64H,17-18,21H2,(H,66,67)(H,68,69)(H,70,71)/b14-7+