5-[(E)-4-chloranyl-1,2,3,3,4,4-hexakis(fluoranyl)but-1-enyl]-15-[4-chloranyl-1,1,2,2,3,3,4,4-octakis(fluoranyl)butyl]-10,20-bis(3-methylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5-[(E)-4-chloranyl-1,2,3,3,4,4-hexakis(fluoranyl)but-1-enyl]-15-[4-chloranyl-1,1,2,2,3,3,4,4-octakis(fluoranyl)butyl]-10,20-bis(3-methylphenyl)-21,22-dihydroporphyrin Openeye Name: 5-[(E)-4-chloro-1,2,3,3,4,4-hexafluoro-but-1-enyl]-15-(4-chloro-1,1,2,2,3,3,4,4-octafluoro-butyl)-10,20-bis(m-tolyl)-21,22-dihydroporphyrin CAS Name: 5-[(E)-4-chloro-1,2,3,3,4,4-hexafluorobut-1-enyl]-15-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-10,20-bis(3-methylphenyl)-21,22-dihydroporphyrin IUPAC Name: 5-[(E)-4-chloro-1,2,3,3,4,4-hexafluorobut-1-enyl]-15-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-10,20-bis(3-methylphenyl)-21,22-dihydroporphyrin Traditional Name: 5-[(E)-4-chloro-1,2,3,3,4,4-hexafluoro-but-1-enyl]-15-(4-chloro-1,1,2,2,3,3,4,4-octafluoro-butyl)-10,20-bis(m-tolyl)-21,22-dihydroporphine Formula: C42H24Cl2F14N4 MolecularWeight: 921.550405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)C7=CC(=CC=C7)C)C(=C(C(C(F)(F)Cl)(F)F)F)F)N3

Isomeric SMILES

CC1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)C7=CC(=CC=C7)C)/C(=C(/C(C(F)(F)Cl)(F)F)\F)/F)N3

InChI

InChI=1S/C42H24Cl2F14N4/c1-19-5-3-7-21(17-19)31-23-9-11-27(59-23)33(35(45)36(46)38(49,50)41(43,55)56)28-12-10-24(60-28)32(22-8-4-6-20(2)18-22)26-14-16-30(62-26)34(29-15-13-25(31)61-29)37(47,48)39(51,52)40(53,54)42(44,57)58/h3-18,59-60H,1-2H3/b31-23?,31-25?,32-24?,32-26?,33-27?,33-28?,34-29?,34-30?,36-35+