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

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

Systemtic Name:2,3,7,8,12,13,17,18-octaethyl-15-ethynyl-21,22-dihydroporphyrin
Openeye Name:2,3,7,8,12,13,17,18-octaethyl-15-ethynyl-21,22-dihydroporphyrin
CAS Name:2,3,7,8,12,13,17,18-octaethyl-15-ethynyl-21,22-dihydroporphyrin
IUPAC Name:2,3,7,8,12,13,17,18-octaethyl-15-ethynyl-21,22-dihydroporphyrin
Traditional Name:2,3,7,8,12,13,17,18-octaethyl-15-ethynyl-21,22-dihydroporphine
Formula: C38H46N4
MolecularWeight: 558.79864
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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)C#C)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)C#C)C(=C3CC)CC)CC


InChI

InChI=1S/C38H46N4/c1-10-22-24(12-3)33-20-35-26(14-5)28(16-7)37(41-35)30(18-9)38-29(17-8)27(15-6)36(42-38)21-34-25(13-4)23(11-2)32(40-34)19-31(22)39-33/h9,19-21,39-40H,10-17H2,1-8H3


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