2,7-ditert-butyl-4-[3-[2,7-ditert-butyl-8-methyl-1,3,6-tris(oxidanyl)pyren-4-yl]-5-[2,7-ditert-butyl-1,3,6,8-tetrakis(oxidanyl)pyren-4-yl]phenyl]pyrene-1,3,6,8-tetrol

Systemtic Name: 2,7-ditert-butyl-4-[3-[2,7-ditert-butyl-8-methyl-1,3,6-tris(oxidanyl)pyren-4-yl]-5-[2,7-ditert-butyl-1,3,6,8-tetrakis(oxidanyl)pyren-4-yl]phenyl]pyrene-1,3,6,8-tetrol Openeye Name: 2,7-ditert-butyl-4-[3-(2,7-ditert-butyl-1,3,6,8-tetrahydroxy-pyren-4-yl)-5-(2,7-ditert-butyl-1,3,6-trihydroxy-8-methyl-pyren-4-yl)phenyl]pyrene-1,3,6,8-tetrol CAS Name: 2,7-ditert-butyl-4-[3-(2,7-ditert-butyl-1,3,6,8-tetrahydroxy-4-pyrenyl)-5-(2,7-ditert-butyl-1,3,6-trihydroxy-8-methyl-4-pyrenyl)phenyl]pyrene-1,3,6,8-tetrol IUPAC Name: 2,7-ditert-butyl-4-[3-(2,7-ditert-butyl-1,3,6,8-tetrahydroxypyren-4-yl)-5-(2,7-ditert-butyl-1,3,6-trihydroxy-8-methylpyren-4-yl)phenyl]pyrene-1,3,6,8-tetrol Traditional Name: 2,7-ditert-butyl-4-[3-(2,7-ditert-butyl-1,3,6,8-tetrahydroxy-pyren-4-yl)-5-(2,7-ditert-butyl-1,3,6-trihydroxy-8-methyl-pyren-4-yl)phenyl]pyrene-1,3,6,8-tetrol Formula: C79H80O11 MolecularWeight: 1205.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=C(C(=C(C4=C(C=C(C2=C34)C(=C1C(C)(C)C)O)C5=CC(=CC(=C5)C6=C7C8=C9C(=C(C(=C(C9=C6)O)C(C)(C)C)O)C=CC8=C(C(=C7O)C(C)(C)C)O)C1=C2C3=C4C(=C(C(=C(C4=C1)O)C(C)(C)C)O)C=CC3=C(C(=C2O)C(C)(C)C)O)O)C(C)(C)C)O

Isomeric SMILES

CC1=C2C=CC3=C(C(=C(C4=C(C=C(C2=C34)C(=C1C(C)(C)C)O)C5=CC(=CC(=C5)C6=C7C8=C9C(=C(C(=C(C9=C6)O)C(C)(C)C)O)C=CC8=C(C(=C7O)C(C)(C)C)O)C1=C2C3=C4C(=C(C(=C(C4=C1)O)C(C)(C)C)O)C=CC3=C(C(=C2O)C(C)(C)C)O)O)C(C)(C)C)O

InChI

InChI=1S/C79H80O11/c1-32-36-20-21-39-51-48(36)45(68(85)57(32)74(2,3)4)29-42(54(51)71(88)60(65(39)82)77(11,12)13)33-26-34(43-30-46-49-37(63(80)58(69(46)86)75(5,6)7)22-24-40-52(49)55(43)72(89)61(66(40)83)78(14,15)16)28-35(27-33)44-31-47-50-38(64(81)59(70(47)87)76(8,9)10)23-25-41-53(50)56(44)73(90)62(67(41)84)79(17,18)19/h20-31,80-90H,1-19H3