(E)-3-[9-chloranyl-6-[10-chloranyl-5-[(E)-1-methoxy-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-7-methyl-1,6,9-tris(oxidanyl)-8-oxidanylidene-6-propan-2-yl-5,7-dihydroanthracen-2-yl]-2,5,10-tris(oxidanyl)-4-oxidanylidene-2-propan-2-yl-1,3-dihydroanthracen-1-yl]-3-methoxy-prop-2-enoic acid

Systemtic Name: (E)-3-[9-chloranyl-6-[10-chloranyl-5-[(E)-1-methoxy-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-7-methyl-1,6,9-tris(oxidanyl)-8-oxidanylidene-6-propan-2-yl-5,7-dihydroanthracen-2-yl]-2,5,10-tris(oxidanyl)-4-oxidanylidene-2-propan-2-yl-1,3-dihydroanthracen-1-yl]-3-methoxy-prop-2-enoic acid Openeye Name: (E)-3-[9-chloro-6-[10-chloro-1,6,9-trihydroxy-5-[(E)-3-hydroxy-1-methoxy-3-oxo-prop-1-enyl]-6-isopropyl-7-methyl-8-oxo-5,7-dihydroanthracen-2-yl]-2,5,10-trihydroxy-2-isopropyl-4-oxo-1,3-dihydroanthracen-1-yl]-3-methoxy-prop-2-enoic acid CAS Name: (E)-3-[9-chloro-6-[10-chloro-1,6,9-trihydroxy-5-[(E)-3-hydroxy-1-methoxy-3-oxoprop-1-enyl]-7-methyl-8-oxo-6-propan-2-yl-5,7-dihydroanthracen-2-yl]-2,5,10-trihydroxy-4-oxo-2-propan-2-yl-1,3-dihydroanthracen-1-yl]-3-methoxy-2-propenoic acid IUPAC Name: (E)-3-[9-chloro-6-[10-chloro-1,6,9-trihydroxy-5-[(E)-3-hydroxy-1-methoxy-3-oxoprop-1-enyl]-7-methyl-8-oxo-6-propan-2-yl-5,7-dihydroanthracen-2-yl]-2,5,10-trihydroxy-4-oxo-2-propan-2-yl-1,3-dihydroanthracen-1-yl]-3-methoxyprop-2-enoic acid Traditional Name: (E)-3-[9-chloro-6-[10-chloro-1,6,9-trihydroxy-5-[(E)-3-hydroxy-3-keto-1-methoxy-prop-1-enyl]-6-isopropyl-8-keto-7-methyl-5,7-dihydroanthracen-2-yl]-2,5,10-trihydroxy-2-isopropyl-4-keto-1,3-dihydroanthracen-1-yl]-3-methoxy-acrylic acid Formula: C43H42Cl2O14 MolecularWeight: 853.69118

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)C(=C6C(C(CC(=O)C6=C5O)(C(C)C)O)C(=CC(=O)O)OC)Cl)O)C(=C2C(C1(C(C)C)O)C(=CC(=O)O)OC)Cl)O

Isomeric SMILES

CC1C(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)C(=C6C(C(CC(=O)C6=C5O)(C(C)C)O)/C(=C\C(=O)O)/OC)Cl)O)C(=C2C(C1(C(C)C)O)/C(=C\C(=O)O)/OC)Cl)O

InChI

InChI=1S/C43H42Cl2O14/c1-15(2)42(56)14-22(46)29-30(33(42)23(58-6)12-25(47)48)35(44)20-10-8-18(38(52)27(20)40(29)54)19-9-11-21-28(39(19)53)41(55)32-31(36(21)45)34(24(59-7)13-26(49)50)43(57,16(3)4)17(5)37(32)51/h8-13,15-17,33-34,52-57H,14H2,1-7H3,(H,47,48)(H,49,50)/b23-12+,24-13+