2-methyl-4-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]but-3-yn-2-ol

Systemtic Name: 2-methyl-4-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]but-3-yn-2-ol Openeye Name: 2-methyl-4-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]but-3-yn-2-ol CAS Name: 2-methyl-4-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]-3-butyn-2-ol IUPAC Name: 2-methyl-4-[4-(10,15,20-tripentyl-21,22-dihydroporphyrin-5-yl)phenyl]but-3-yn-2-ol Traditional Name: 2-methyl-4-[4-(10,15,20-triamyl-21,22-dihydroporphin-5-yl)phenyl]but-3-yn-2-ol Formula: C46H54N4O MolecularWeight: 678.94716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCC)CCCCC)C6=CC=C(C=C6)C#CC(C)(C)O)N2

Isomeric SMILES

CCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCC)CCCCC)C6=CC=C(C=C6)C#CC(C)(C)O)N2

InChI

InChI=1S/C46H54N4O/c1-6-9-12-15-34-37-22-24-39(47-37)35(16-13-10-7-2)41-26-28-43(49-41)45(33-20-18-32(19-21-33)30-31-46(4,5)51)44-29-27-42(50-44)36(17-14-11-8-3)40-25-23-38(34)48-40/h18-29,49-51H,6-17H2,1-5H3