methyl 4-[10-hexyl-20-(3,4,5-trimethoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoate

Systemtic Name: methyl 4-[10-hexyl-20-(3,4,5-trimethoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoate Openeye Name: methyl 4-[10-hexyl-20-(3,4,5-trimethoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoate CAS Name: 4-[10-hexyl-20-(3,4,5-trimethoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[10-hexyl-20-(3,4,5-trimethoxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoate Traditional Name: 4-[10-hexyl-20-(3,4,5-trimethoxyphenyl)-23,24-dihydroporphin-5-yl]benzoic acid methyl ester Formula: C43H42N4O5 MolecularWeight: 694.81738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C1N5)N4)C6=CC(=C(C(=C6)OC)OC)OC)C7=CC=C(C=C7)C(=O)OC

Isomeric SMILES

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C1N5)N4)C6=CC(=C(C(=C6)OC)OC)OC)C7=CC=C(C=C7)C(=O)OC

InChI

InChI=1S/C43H42N4O5/c1-6-7-8-9-10-31-32-17-15-29(44-32)25-30-16-18-34(45-30)41(28-23-38(49-2)42(51-4)39(24-28)50-3)37-22-21-36(47-37)40(35-20-19-33(31)46-35)26-11-13-27(14-12-26)43(48)52-5/h11-25,44-45H,6-10H2,1-5H3