2,6-ditert-butyl-4-[10,15,20-tris(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[10,15,20-tris(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenol Openeye Name: 2,6-ditert-butyl-4-[10,15,20-tris(3,5-ditert-butyl-4-hydroxy-phenyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenol CAS Name: 2,6-ditert-butyl-4-[10,15,20-tris(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenol IUPAC Name: 2,6-ditert-butyl-4-[10,15,20-tris(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenol Traditional Name: 2,6-ditert-butyl-4-[10,15,20-tris(3,5-ditert-butyl-4-hydroxy-phenyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphin-5-yl]phenol Formula: C76H116N4O4 MolecularWeight: 1149.75864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C3CCC(N3)C(C4CCC(N4)C(C5CCC(N5)C(C6CCC2N6)C7=CC(=C(C(=C7)C(C)(C)C)O)C(C)(C)C)C8=CC(=C(C(=C8)C(C)(C)C)O)C(C)(C)C)C9=CC(=C(C(=C9)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C3CCC(N3)C(C4CCC(N4)C(C5CCC(N5)C(C6CCC2N6)C7=CC(=C(C(=C7)C(C)(C)C)O)C(C)(C)C)C8=CC(=C(C(=C8)C(C)(C)C)O)C(C)(C)C)C9=CC(=C(C(=C9)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C76H116N4O4/c1-69(2,3)45-33-41(34-46(65(45)81)70(4,5)6)61-53-25-27-55(77-53)62(42-35-47(71(7,8)9)66(82)48(36-42)72(10,11)12)57-29-31-59(79-57)64(44-39-51(75(19,20)21)68(84)52(40-44)76(22,23)24)60-32-30-58(80-60)63(56-28-26-54(61)78-56)43-37-49(73(13,14)15)67(83)50(38-43)74(16,17)18/h33-40,53-64,77-84H,25-32H2,1-24H3