3-[10,20-dihexyl-15-[(E)-3-oxidanylideneprop-1-enyl]-21,24-dihydroporphyrin-5-yl]prop-2-enal

Systemtic Name: 3-[10,20-dihexyl-15-[(E)-3-oxidanylideneprop-1-enyl]-21,24-dihydroporphyrin-5-yl]prop-2-enal Openeye Name: 3-[10,20-dihexyl-15-[(E)-3-oxoprop-1-enyl]-21,24-dihydroporphyrin-5-yl]prop-2-enal CAS Name: 3-[10,20-dihexyl-15-[(E)-3-oxoprop-1-enyl]-21,24-dihydroporphyrin-5-yl]-2-propenal IUPAC Name: 3-[10,20-dihexyl-15-[(E)-3-oxoprop-1-enyl]-21,24-dihydroporphyrin-5-yl]prop-2-enal Traditional Name: 3-[10,20-dihexyl-15-[(E)-3-ketoprop-1-enyl]-21,24-dihydroporphin-5-yl]acrolein Formula: C38H42N4O2 MolecularWeight: 586.76568

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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=O)C=C4)CCCCCC)C=C3)C=CC=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C38H42N4O2/c1-3-5-7-9-13-27-31-17-21-35(39-31)29(15-11-25-43)37-23-19-33(41-37)28(14-10-8-6-4-2)34-20-24-38(42-34)30(16-12-26-44)36-22-18-32(27)40-36/h11-12,15-26,39-40H,3-10,13-14H2,1-2H3/b15-11+,16-12?,31-27?,32-27?,33-28?,34-28?,35-29?,36-30?,37-29?,38-30?