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methyl 2-[2,3,7,8,12,13,17,18-octaethyl-15-(4-methoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoate

methyl 2-[2,3,7,8,12,13,17,18-octaethyl-15-(4-methoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoate

Systemtic Name:methyl 2-[2,3,7,8,12,13,17,18-octaethyl-15-(4-methoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoate
Openeye Name:methyl 2-[2,3,7,8,12,13,17,18-octaethyl-15-(4-methoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoate
CAS Name:2-[2,3,7,8,12,13,17,18-octaethyl-15-(4-methoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoic acid methyl ester
IUPAC Name:methyl 2-[2,3,7,8,12,13,17,18-octaethyl-15-(4-methoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoate
Traditional Name:2-[2,3,7,8,12,13,17,18-octaethyl-15-(4-methoxyphenyl)-23,24-dihydroporphin-5-yl]benzoic acid methyl ester
Formula: C51H58N4O3
MolecularWeight: 775.03122
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=C(C(=C(N3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)CC)CC)C6=CC=CC=C6C(=O)OC)CC)CC)CC)CC)C7=CC=C(C=C7)OC)CC


Isomeric SMILES

CCC1=C(C2=C(C3=C(C(=C(N3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)CC)CC)C6=CC=CC=C6C(=O)OC)CC)CC)CC)CC)C7=CC=C(C=C7)OC)CC


InChI

InChI=1S/C51H58N4O3/c1-11-31-35(15-5)47-45(29-23-25-30(57-9)26-24-29)48-36(16-6)32(12-2)42(53-48)28-44-34(14-4)38(18-8)50(55-44)46(39-21-19-20-22-40(39)51(56)58-10)49-37(17-7)33(13-3)43(54-49)27-41(31)52-47/h19-28,52-53H,11-18H2,1-10H3


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