3-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-4-isopropoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione IUPAC Name: 3-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione Traditional Name: 3-(10,20-diphenyl-23,24-dihydroporphin-5-yl)-4-isopropoxy-cyclobut-3-ene-1,2-quinone Formula: C39H28N4O3 MolecularWeight: 600.66462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C1=O)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)N4)C8=CC=CC=C8

Isomeric SMILES

CC(C)OC1=C(C(=O)C1=O)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)N4)C8=CC=CC=C8

InChI

InChI=1S/C39H28N4O3/c1-22(2)46-39-36(37(44)38(39)45)35-31-19-17-29(42-31)33(23-9-5-3-6-10-23)27-15-13-25(40-27)21-26-14-16-28(41-26)34(24-11-7-4-8-12-24)30-18-20-32(35)43-30/h3-22,40-41H,1-2H3