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

Systemtic Name: 2,7-ditert-butyl-4-[2-[2,7-ditert-butyl-1,3,6,8-tetrakis(oxidanyl)pyren-4-yl]ethynyl]pyrene-1,3,6,8-tetrol Openeye Name: 2,7-ditert-butyl-4-[2-(2,7-ditert-butyl-1,3,6,8-tetrahydroxy-pyren-4-yl)ethynyl]pyrene-1,3,6,8-tetrol CAS Name: 2,7-ditert-butyl-4-[2-(2,7-ditert-butyl-1,3,6,8-tetrahydroxy-4-pyrenyl)ethynyl]pyrene-1,3,6,8-tetrol IUPAC Name: 2,7-ditert-butyl-4-[2-(2,7-ditert-butyl-1,3,6,8-tetrahydroxypyren-4-yl)ethynyl]pyrene-1,3,6,8-tetrol Traditional Name: 2,7-ditert-butyl-4-[2-(2,7-ditert-butyl-1,3,6,8-tetrahydroxy-pyren-4-yl)ethynyl]pyrene-1,3,6,8-tetrol Formula: C50H50O8 MolecularWeight: 778.9272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C3C(=C1O)C=C(C4=C(C(=C(C(=C34)C=C2)O)C(C)(C)C)O)C#CC5=CC6=C(C(=C(C7=C6C8=C(C=C7)C(=C(C(=C58)O)C(C)(C)C)O)O)C(C)(C)C)O)O

Isomeric SMILES

CC(C)(C)C1=C(C2=C3C(=C1O)C=C(C4=C(C(=C(C(=C34)C=C2)O)C(C)(C)C)O)C#CC5=CC6=C(C(=C(C7=C6C8=C(C=C7)C(=C(C(=C58)O)C(C)(C)C)O)O)C(C)(C)C)O)O

InChI

InChI=1S/C50H50O8/c1-47(2,3)35-39(51)23-15-17-25-33-29(45(57)37(41(25)53)49(7,8)9)21(19-27(31(23)33)43(35)55)13-14-22-20-28-32-24(40(52)36(44(28)56)48(4,5)6)16-18-26-34(32)30(22)46(58)38(42(26)54)50(10,11)12/h15-20,51-58H,1-12H3