2,7-ditert-butyl-4-[[2,7-ditert-butyl-1,3,6,8-tetrakis(oxidanyl)pyren-4-yl]oxymethoxy]pyrene-1,3,6,8-tetrol

Systemtic Name: 2,7-ditert-butyl-4-[[2,7-ditert-butyl-1,3,6,8-tetrakis(oxidanyl)pyren-4-yl]oxymethoxy]pyrene-1,3,6,8-tetrol Openeye Name: 2,7-ditert-butyl-4-[(2,7-ditert-butyl-1,3,6,8-tetrahydroxy-pyren-4-yl)oxymethoxy]pyrene-1,3,6,8-tetrol CAS Name: 2,7-ditert-butyl-4-[(2,7-ditert-butyl-1,3,6,8-tetrahydroxy-4-pyrenyl)oxymethoxy]pyrene-1,3,6,8-tetrol IUPAC Name: 2,7-ditert-butyl-4-[(2,7-ditert-butyl-1,3,6,8-tetrahydroxypyren-4-yl)oxymethoxy]pyrene-1,3,6,8-tetrol Traditional Name: 2,7-ditert-butyl-4-[(2,7-ditert-butyl-1,3,6,8-tetrahydroxy-pyren-4-yl)oxymethoxy]pyrene-1,3,6,8-tetrol Formula: C49H52O10 MolecularWeight: 800.93118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=CC(=C3C4=C2C(=C1O)C=CC4=C(C(=C3O)C(C)(C)C)O)OCOC5=C6C7=C8C(=C(C(=C(C8=C5)O)C(C)(C)C)O)C=CC7=C(C(=C6O)C(C)(C)C)O)O

Isomeric SMILES

CC(C)(C)C1=C(C2=CC(=C3C4=C2C(=C1O)C=CC4=C(C(=C3O)C(C)(C)C)O)OCOC5=C6C7=C8C(=C(C(=C(C8=C5)O)C(C)(C)C)O)C=CC7=C(C(=C6O)C(C)(C)C)O)O

InChI

InChI=1S/C49H52O10/c1-46(2,3)34-38(50)20-13-15-22-30-28(20)24(42(34)54)17-26(32(30)44(56)36(40(22)52)48(7,8)9)58-19-59-27-18-25-29-21(39(51)35(43(25)55)47(4,5)6)14-16-23-31(29)33(27)45(57)37(41(23)53)49(10,11)12/h13-18,50-57H,19H2,1-12H3