3-bromanyl-2,7,8,12,13,17,18-heptaethyl-21,22-dihydroporphyrin

Systemtic Name: 3-bromanyl-2,7,8,12,13,17,18-heptaethyl-21,22-dihydroporphyrin Openeye Name: 3-bromo-2,7,8,12,13,17,18-heptaethyl-21,22-dihydroporphyrin CAS Name: 3-bromo-2,7,8,12,13,17,18-heptaethyl-21,22-dihydroporphyrin IUPAC Name: 3-bromo-2,7,8,12,13,17,18-heptaethyl-21,22-dihydroporphyrin Traditional Name: 3-bromo-2,7,8,12,13,17,18-heptaethyl-21,22-dihydroporphine Formula: C34H41BrN4 MolecularWeight: 585.62014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)Br)CC)C(=C4CC)CC)C(=C3CC)CC)CC

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)Br)CC)C(=C4CC)CC)C(=C3CC)CC)CC

InChI

InChI=1S/C34H41BrN4/c1-8-19-20(9-2)27-16-29-23(12-5)24(13-6)31(38-29)18-33-34(35)25(14-7)32(39-33)17-30-22(11-4)21(10-3)28(37-30)15-26(19)36-27/h15-18,38-39H,8-14H2,1-7H3