2,3,7,8,12,13,17,18-octaethyl-23-methyl-21H-porphyrin

Systemtic Name: 2,3,7,8,12,13,17,18-octaethyl-23-methyl-21H-porphyrin Openeye Name: 2,3,7,8,12,13,17,18-octaethyl-23-methyl-21H-porphyrin CAS Name: 2,3,7,8,12,13,17,18-octaethyl-23-methyl-21H-porphyrin IUPAC Name: 2,3,7,8,12,13,17,18-octaethyl-23-methyl-21H-porphyrin Traditional Name: 2,3,7,8,12,13,17,18-octaethyl-23-methyl-21H-porphine Formula: C37H48N4 MolecularWeight: 548.80382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4C)C=C5C(=C(C(=N5)C=C1N2)CC)CC)CC)CC)C(=C3CC)CC)CC

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4C)C=C5C(=C(C(=N5)C=C1N2)CC)CC)CC)CC)C(=C3CC)CC)CC

InChI

InChI=1S/C37H48N4/c1-10-22-23(11-2)31-19-33-25(13-4)27(15-6)35(40-33)21-37-29(17-8)28(16-7)36(41(37)9)20-34-26(14-5)24(12-3)32(39-34)18-30(22)38-31/h18-21,38H,10-17H2,1-9H3