1-[10,20-dihexyl-15-(1-oxidanylbut-3-enyl)-21,24-dihydroporphyrin-5-yl]but-3-en-1-ol

Systemtic Name: 1-[10,20-dihexyl-15-(1-oxidanylbut-3-enyl)-21,24-dihydroporphyrin-5-yl]but-3-en-1-ol Openeye Name: 1-[10,20-dihexyl-15-(1-hydroxybut-3-enyl)-21,24-dihydroporphyrin-5-yl]but-3-en-1-ol CAS Name: 1-[10,20-dihexyl-15-(1-hydroxybut-3-enyl)-21,24-dihydroporphyrin-5-yl]-3-buten-1-ol IUPAC Name: 1-[10,20-dihexyl-15-(1-hydroxybut-3-enyl)-21,24-dihydroporphyrin-5-yl]but-3-en-1-ol Traditional Name: 1-[10,20-dihexyl-15-(1-hydroxybut-3-enyl)-21,24-dihydroporphin-5-yl]but-3-en-1-ol Formula: C40H50N4O2 MolecularWeight: 618.8506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C(CC=C)O)C=C4)CCCCCC)C=C3)C(CC=C)O)N2

Isomeric SMILES

CCCCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C(CC=C)O)C=C4)CCCCCC)C=C3)C(CC=C)O)N2

InChI

InChI=1S/C40H50N4O2/c1-5-9-11-13-17-27-29-19-23-33(41-29)39(37(45)15-7-3)35-25-21-31(43-35)28(18-14-12-10-6-2)32-22-26-36(44-32)40(38(46)16-8-4)34-24-20-30(27)42-34/h7-8,19-26,37-38,41-42,45-46H,3-6,9-18H2,1-2H3