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methyl 4-[10,15,20-tri(undecyl)-21,22-dihydroporphyrin-5-yl]benzoate

methyl 4-[10,15,20-tri(undecyl)-21,22-dihydroporphyrin-5-yl]benzoate

Systemtic Name:methyl 4-[10,15,20-tri(undecyl)-21,22-dihydroporphyrin-5-yl]benzoate
Openeye Name:methyl 4-[10,15,20-tri(undecyl)-21,22-dihydroporphyrin-5-yl]benzoate
CAS Name:4-[10,15,20-tri(undecyl)-21,22-dihydroporphyrin-5-yl]benzoic acid methyl ester
IUPAC Name:methyl 4-[10,15,20-tri(undecyl)-21,22-dihydroporphyrin-5-yl]benzoate
Traditional Name:4-[10,15,20-tri(undecyl)-21,22-dihydroporphin-5-yl]benzoic acid methyl ester
Formula: C61H86N4O2
MolecularWeight: 907.36114
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCCCCCCC)CCCCCCCCCCC)C6=CC=C(C=C6)C(=O)OC)N2


Isomeric SMILES

CCCCCCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCCCCCCC)CCCCCCCCCCC)C6=CC=C(C=C6)C(=O)OC)N2


InChI

InChI=1S/C61H86N4O2/c1-5-8-11-14-17-20-23-26-29-32-49-52-39-41-54(62-52)50(33-30-27-24-21-18-15-12-9-6-2)56-43-45-58(64-56)60(47-35-37-48(38-36-47)61(66)67-4)59-46-44-57(65-59)51(55-42-40-53(49)63-55)34-31-28-25-22-19-16-13-10-7-3/h35-46,64-65H,5-34H2,1-4H3


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