2,3,7,8,12,13,17,18-octaethyl-15-phenoxy-21,22-dihydroporphyrin

Systemtic Name: 2,3,7,8,12,13,17,18-octaethyl-15-phenoxy-21,22-dihydroporphyrin Openeye Name: 2,3,7,8,12,13,17,18-octaethyl-15-phenoxy-21,22-dihydroporphyrin CAS Name: 2,3,7,8,12,13,17,18-octaethyl-15-phenoxy-21,22-dihydroporphyrin IUPAC Name: 2,3,7,8,12,13,17,18-octaethyl-15-phenoxy-21,22-dihydroporphyrin Traditional Name: 2,3,7,8,12,13,17,18-octaethyl-15-phenoxy-21,22-dihydroporphine Formula: C42H50N4O MolecularWeight: 626.8726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)OC6=CC=CC=C6)C(=C3CC)CC)CC

Isomeric SMILES

CCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)OC6=CC=CC=C6)C(=C3CC)CC)CC

InChI

InChI=1S/C42H50N4O/c1-9-26-28(11-3)36-23-38-30(13-5)32(15-7)40(45-38)42(47-25-20-18-17-19-21-25)41-33(16-8)31(14-6)39(46-41)24-37-29(12-4)27(10-2)35(44-37)22-34(26)43-36/h17-24,43-44H,9-16H2,1-8H3