2,6-bis(chloranyl)-4-[10,15,20-tris[3,5-bis(chloranyl)-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-bis(chloranyl)-4-[10,15,20-tris[3,5-bis(chloranyl)-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-dichloro-4-[10,15,20-tris(3,5-dichloro-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-dichloro-4-[10,15,20-tris(3,5-dichloro-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-dichloro-4-[10,15,20-tris(3,5-dichloro-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-dichloro-4-[10,15,20-tris(3,5-dichloro-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: C44H44Cl8N4O4 MolecularWeight: 976.46856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C3CCC(N3)C(C4CCC(N4)C(C5CCC(N5)C(C1N2)C6=CC(=C(C(=C6)Cl)O)Cl)C7=CC(=C(C(=C7)Cl)O)Cl)C8=CC(=C(C(=C8)Cl)O)Cl)C9=CC(=C(C(=C9)Cl)O)Cl

Isomeric SMILES

C1CC2C(C3CCC(N3)C(C4CCC(N4)C(C5CCC(N5)C(C1N2)C6=CC(=C(C(=C6)Cl)O)Cl)C7=CC(=C(C(=C7)Cl)O)Cl)C8=CC(=C(C(=C8)Cl)O)Cl)C9=CC(=C(C(=C9)Cl)O)Cl

InChI

InChI=1S/C44H44Cl8N4O4/c45-21-9-17(10-22(46)41(21)57)37-29-1-2-30(53-29)38(18-11-23(47)42(58)24(48)12-18)32-5-6-34(55-32)40(20-15-27(51)44(60)28(52)16-20)36-8-7-35(56-36)39(33-4-3-31(37)54-33)19-13-25(49)43(59)26(50)14-19/h9-16,29-40,53-60H,1-8H2